/dports/science/nwchem-data/nwchem-7.0.2-release/src/data/amber_x/ |
H A D | glycam.par | 36 AC -CT -CT 1.95128 3.34720E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 37 AC -CT -HC 1.91114 2.92880E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 38 AC -CT -OH 1.91114 4.18400E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 39 AC -CT -OG 1.91114 4.18400E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 40 AC -CT -OS 1.91114 4.18400E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 41 AC -OG -CT 1.98618 5.02080E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 42 AC -OH -HO 1.89368 4.60240E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 43 AC -OS -CT 1.98095 5.02080E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 44 EC -CT -CT 1.90939 3.34720E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 45 EC -CT -HC 1.91114 2.92880E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) [all …]
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H A D | amber.par | 7 …0E+00 0.00000E+00 TPS000106 Berendsen et al., JPC 91, 6269-6271 (1987) 9 …4E-01 1.77661E-01 TPS000106 Berendsen et al., JPC 91, 6269-6271 (1987) 12 OWS -HWS 0.10000 0.46275E+06 tps000929 Berendsen et al., JPC 91, 6269-6271 (1987) 13 HWS -HWS 0.16667 0.46275E+06 tps000929 Berendsen et al., JPC 91, 6269-6271 (1987)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/data/amber_x/ |
H A D | glycam.par | 36 AC -CT -CT 1.95128 3.34720E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 37 AC -CT -HC 1.91114 2.92880E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 38 AC -CT -OH 1.91114 4.18400E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 39 AC -CT -OG 1.91114 4.18400E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 40 AC -CT -OS 1.91114 4.18400E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 41 AC -OG -CT 1.98618 5.02080E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 42 AC -OH -HO 1.89368 4.60240E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 43 AC -OS -CT 1.98095 5.02080E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 44 EC -CT -CT 1.90939 3.34720E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) 45 EC -CT -HC 1.91114 2.92880E+02 tps000929 Woods et al., JPC 99, 3832-3846 (1995) [all …]
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H A D | amber.par | 7 …0E+00 0.00000E+00 TPS000106 Berendsen et al., JPC 91, 6269-6271 (1987) 9 …4E-01 1.77661E-01 TPS000106 Berendsen et al., JPC 91, 6269-6271 (1987) 12 OWS -HWS 0.10000 0.46275E+06 tps000929 Berendsen et al., JPC 91, 6269-6271 (1987) 13 HWS -HWS 0.16667 0.46275E+06 tps000929 Berendsen et al., JPC 91, 6269-6271 (1987)
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/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/fep/CH4hyd/mols/ |
H A D | oplsaa.ff | 5 # alkanes OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 11 # alcohols OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 32 # alkanes OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 35 # alcohols OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 46 # alkanes OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 50 # alcohols OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010
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/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/fep/CC-CO/mols/ |
H A D | CC-CO.ff | 22 # alkanes OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 25 # alcohols OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 31 # alkanes OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 35 # alcohols OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010
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/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/fep/CH4-CF4/mols/ |
H A D | CH4-CF4.ff | 5 # alkanes JACS 118(1996)11225, JPC 100(1996)18010 16 # alkanes OPLS-AA JACS 118(1996)11225, JPC 100(1996)18010 23 # alkanes JACS 118(1996)11225, JPC 100(1996)18010
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/dports/graphics/netpbm/netpbm-10.91.01/man/ |
H A D | pamtojpeg2k.1 | 58 (JPC) file on Standard Output. 61 and JPEG-2000 code stream (JPC). JP2 represents a visual image quite 63 \fBpamtojpeg2k\fP can't produce a JP2, but the JPC image that 69 can contain extra information about an image that JPC cannot. 74 the JPC output as in the PAM input. 76 A JPC image has a "precision," which is the number of bits used for 81 independent concept of maxval; the maxval of a JPC sample is the 86 99. This means JPC precision is 7 bits and the JPC maxval is 127. A 90 \fBpamtojpeg2k\fP generates the JPC output with the 125 Jasper library JPC encoder subroutine takes. See [all …]
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H A D | jpeg2ktopam.1 | 32 \fBjpeg2ktopam\fP converts the named JPEG-2000 file (JP2 or JPC), 37 JPEG-2000 code stream (JPC). JP2 represents a visual image quite 38 specifically, whereas JPC is a more or less arbitrary array of codes. A JP2 39 image contains a JPC stream and metadata describing how that stream represents 61 the JPC component numbers. 150 a JP2 file -- only JPC.
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/dports/science/gromacs/gromacs-2021.4/share/top/oplsaa.ff/ |
H A D | atomtypes.atp | 95 opls_078 15.99940 ; O ALCOHOLS JPC,90,1276 (1986) 96 opls_079 1.00800 ; H(O) ALCOHOLS JPC,90,1276 (1986) 97 opls_080 15.03500 ; CH3 IN METHANOL JPC,90,1276 (1986) 214 opls_201 32.06000 ; S IN H2S JPC,90,6379 (1986) 218 opls_205 1.00800 ; H IN H2S JPC,90,6379 (1986) 302 opls_286 14.00670 ; N (NH4+) JPC,90,2174 (1986) 303 opls_287 14.00670 ; N (RNH3+) JPC,90,2174 (1986) 304 opls_288 14.00670 ; N (R4N+) JPC,90,2174 (1986) 305 opls_289 1.00800 ; H (NH4+) JPC,90,2174 (1986) 306 opls_290 1.00800 ; H (RNH3+) JPC,90,2174 (1986) [all …]
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/dports/www/mod_php81/php-8.1.1/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 24 //JPC file 25 "JPC image file" => "test1pix.jpc", 156 -- JPC image file (test1pix.jpc) --
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/dports/lang/php80/php-8.0.15/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 24 //JPC file 25 "JPC image file" => "test1pix.jpc", 156 -- JPC image file (test1pix.jpc) --
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/dports/lang/php81/php-8.1.1/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 24 //JPC file 25 "JPC image file" => "test1pix.jpc", 156 -- JPC image file (test1pix.jpc) --
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/dports/www/mod_php80/php-8.0.15/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 24 //JPC file 25 "JPC image file" => "test1pix.jpc", 156 -- JPC image file (test1pix.jpc) --
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/dports/lang/php74/php-7.4.27/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 29 //JPC file 30 "JPC image file" => "test1pix.jpc", 162 -- JPC image file (test1pix.jpc) --
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/dports/lang/php73/php-7.3.33/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 29 //JPC file 30 "JPC image file" => "test1pix.jpc", 162 -- JPC image file (test1pix.jpc) --
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/dports/www/mod_php73/php-7.3.33/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 29 //JPC file 30 "JPC image file" => "test1pix.jpc", 162 -- JPC image file (test1pix.jpc) --
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/dports/www/mod_php74/php-7.4.27/ext/standard/tests/image/ |
H A D | getimagesize_basic.phpt | 29 //JPC file 30 "JPC image file" => "test1pix.jpc", 162 -- JPC image file (test1pix.jpc) --
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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 4jpc_1m6.sdf | 3 Coordinates from PDB:4JPC:A:502 Model:1 without hydrogens 124 4JPC
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/dports/math/py-pynleq2/pysces-0.9.8/pysces/pitcon/ |
H A D | dpcon61.f | 1147 INTEGER JPC 1448 TMAX2=ABS(RWORK(LTC+JPC)) 1449 IF(JPC.EQ.0)JPC=IPC 1450 IF(IWORK(3).EQ.1)JPC=IPC 1500 IPC=JPC 1501 JPC=ITMP 1507 WRITE(LOUNIT,370)JPC 1518 IWORK(12)=JPC 1785 JPC=IWORK(12) 1814 IF(IWORK(3).NE.1.AND.IHOLD.NE.JPC.AND.JPC.NE.0)THEN [all …]
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/dports/biology/py-PySCeS/pysces-1.0.0/pysces/pitcon/ |
H A D | dpcon61.f | 1147 INTEGER JPC 1448 TMAX2=ABS(RWORK(LTC+JPC)) 1449 IF(JPC.EQ.0)JPC=IPC 1450 IF(IWORK(3).EQ.1)JPC=IPC 1500 IPC=JPC 1501 JPC=ITMP 1507 WRITE(LOUNIT,370)JPC 1518 IWORK(12)=JPC 1785 JPC=IWORK(12) 1814 IF(IWORK(3).NE.1.AND.IHOLD.NE.JPC.AND.JPC.NE.0)THEN [all …]
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/dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/data/coordinates/ |
H A D | new_hexane.arc | 1 6 Hexane (267 OPLS-UA in 38.8 Ang Box; JPC, 100, 14511 '96)
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/dports/science/py-pymol/pymol-open-source-2.4.0/data/chempy/tinker/ |
H A D | parm94.dat | 159 O2-C -O2 80.0 126.00 AA GLU (SCH JPC 79,2379) 233 CT-CT-S 50.0 114.70 AA cyx (SCHERAGA JPC 79,1428) 238 CA-CT-CT 63.0 114.00 AA phe tyr (SCH JPC 79,2379) 328 CT-S -S 68.0 103.70 AA cyx (SCHERAGA JPC 79,1428) 480 Li 1.1370 0.0183 Li+ Aqvist JPC 1990,94,8021. (adapted) 481 IP 1.8680 0.00277 Na+ Aqvist JPC 1990,94,8021. (adapted) 482 K 2.6580 0.000328 K+ Aqvist JPC 1990,94,8021. (adapted) 483 Rb 2.9560 0.00017 Rb+ Aqvist JPC 1990,94,8021. (adapted) 484 Cs 3.3950 0.0000806 Cs+ Aqvist JPC 1990,94,8021. (adapted)
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/dports/science/gabedit/GabeditSrc251_300720/utils/MolecularMechanics/ |
H A D | amber.prm | 69 S 32.06 2.900 S in disulfide linkage,pol:JPC,102,2399,98 216 O2-C -O2 80.0 126.00 AA GLU (SCH JPC 79,2379) 330 CT-CT-S 50.0 114.70 AA cyx (SCHERAGA JPC 79,1428) 332 CT-CT-CA 63.0 114.00 AA phe tyr (SCH JPC 79,2379) 442 CT-S -S 68.0 103.70 AA cyx (SCHERAGA JPC 79,1428) 690 Li 1.1370 0.0183 Li+ Aqvist JPC 1990,94,8021. (adapted) 691 IP 1.8680 0.00277 Na+ Aqvist JPC 1990,94,8021. (adapted) 692 Na 1.8680 0.00277 Na+ Aqvist JPC 1990,94,8021. (adapted) 693 K 2.6580 0.000328 K+ Aqvist JPC 1990,94,8021. (adapted) 694 Rb 2.9560 0.00017 Rb+ Aqvist JPC 1990,94,8021. (adapted) [all …]
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/dports/graphics/jasper/jasper-version-2.0.33/ |
H A D | NEWS | 4 * Fix a JP2/JPC decoder bug. 21 * Fix potential null pointer dereference in the JP2/JPC decoder. (#269) 30 * Check for dimensions of zero in the JPC and JPEG decoders.
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