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Searched refs:HB1 (Results 326 – 350 of 674) sorted by relevance

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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/apbs_radi/out.save/
H A Dlyn.out.save152 1 -5.8138E+00 1.2397E+01 4.9493E+01 HB1 16
168 1 -5.8138E+00 1.2397E+01 4.9493E+01 HB1 16
H A Dlys.out.save152 1 -1.8648E+01 1.2127E+01 4.9577E+01 HB1 17
168 1 -1.8648E+01 1.2127E+01 4.9577E+01 HB1 17
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/ALA/
H A Dala.pqr19 ATOM 6 HB1 ALA 1 3.877 3.116 2.131 0.0603 1.4870
/dports/biology/molden/molden5.8/plush/
H A DHB11 mol="HB1" Charge="0"
H A D4J224 lab="HB1" NH="0"
H A D5VR28 lab="HB1" NH="0"
H A D4J430 lab="HB1" NH="0"
/dports/science/openbabel/openbabel-3.1.1/test/files/
H A Dculgi_04.mol220 13 HB1 -0.4924 -1.4535 -0.9055 H 1 ARG1 0.0000
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/NAMD/test/dipeptide/
H A Ddipeptide.top13 N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O
/dports/science/lammps/lammps-stable_29Sep2021/tools/msi2lmp/test/
H A Dphen3_cff97-class1.car15 HB1 1.839982390 -0.182426706 -2.172762394 PHEN 1 h H 0.0530
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/sample_psf/
H A Dsolute1.psf18 12 MOL01 2 ALA HB1 HC2 0.042500 1.008 0
H A Dace_ala_nme.psf18 12 MOL01 2 ALA HB1 HC2 0.042500 1.008 0
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/sample_psf/
H A Dsolute1.psf18 12 MOL01 2 ALA HB1 HC2 0.042500 1.008 0
H A Dace_ala_nme.psf18 12 MOL01 2 ALA HB1 HC2 0.042500 1.008 0
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-8/system/
H A Dem.gro45 3LEU HB1 43 1.749 1.399 1.891
H A Dout.gro45 3LEU HB1 43 1.732 1.401 1.886
H A Dconf.gro45 3LEU HB1 43 0.346 -0.194 0.738
/dports/misc/libad9361-iio/libad9361-iio-0.2-8-ge7bb5cd/
H A Dad9361.h70 double HB1; /**< Decimation/Interpolation setting of HB1 [1,2] */ member
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/dat/
H A DCHARMM.DAT16 ALA HB1 0.09 1.320000 HA
26 ARG HB1 0.09 1.320000 HA
50 ASN HB1 0.09 1.320000 HA
64 ASP HB1 0.09 1.320000 HA
76 CYS HB1 0.09 1.320000 HA
87 GLN HB1 0.09 1.320000 HA
104 GLU HB1 0.09 1.320000 HA
126 HSD HB1 0.09 1.320000 HA
143 HSE HB1 0.09 1.320000 HA
160 HSP HB1 0.09 1.320000 HA
[all …]
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/others/isdb-1/charmm36-eef1sb.ff/
H A Dgb.itp10 HB1 0.1 1 1 0.125 0.85 ; H
/dports/science/gromacs/gromacs-2021.4/src/testutils/simulationdatabase/freeenergy/coulandvdwsequential_vdw/
H A Dana.itp18 2 opls_140 1 ASN HB1 1 0.06 1.008
/dports/science/aircraft-datcom/aircraft-datcom-ed877bb/src/
H A Dclmxb1.f21 DATA ROUTID/4HCLMX,4HB1 /
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/amber-tests/small/
H A Dsmall_am.top13 N H1 H2 H3 CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/amber-tests/small/
H A Dsmall_am.top13 N H1 H2 H3 CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3
/dports/science/plumed/plumed2-2.7.2/test/namd/
H A Ddia2.psf31 20 DIA 2 ALA HB1 HA 0.090000 1.0080 0

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