NUMANG (reference) in projects: dports - OpenGrok search results

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Searched refs:NUMANG (Results 1 – 25 of 79) sorted by relevance

12 3 4

/dports/science/lammps/lammps-stable_29Sep2021/tools/amber2lmp/
H A D	amber2lammps.py	`210 l.angle_types = self.NUMANG 269 for i in range(self.NUMANG): 271 for i in range(self.NUMANG): 516 self.NUMANG = eval(Pop(Item_list,0)) 534 2*(self.NRES + self.NUMBND + self.NUMANG) + \ 604 for i in range(self.NUMANG): 609 for i in range(self.NUMANG):`
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/pbsa_pgb/PBSA/
H A D	mdout.pbpgb.min.save	`49 NUMANG = 65 NPTRA = 26 NATYP = 21 NPHB = 0`
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/pbsa_pgb/iAPBS/out.save/
H A D	mdout.pbpgb.min.save	`49 NUMANG = 65 NPTRA = 26 NATYP = 21 NPHB = 0`
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/Solvation/
H A D	solvation-auto.out.save	`62 NUMANG = 16 NPTRA = 16 NATYP = 7 NPHB = 0`
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/Visualization/
H A D	vis.out.save	`55 NUMANG = 16 NPTRA = 16 NATYP = 7 NPHB = 0`
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/test/apbs_radi/out.save/
H A D	Ca.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	IM.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	K.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	Li.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	MG.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	Na.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	Rb.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	ash.out.save	`62 NUMANG = 6 NPTRA = 6 NATYP = 6 NPHB = 0`
H A D	asp.out.save	`62 NUMANG = 4 NPTRA = 2 NATYP = 4 NPHB = 0`
H A D	cyx.out.save	`62 NUMANG = 2 NPTRA = 0 NATYP = 3 NPHB = 0`
H A D	da3p.out.save	`62 NUMANG = 14 NPTRA = 13 NATYP = 8 NPHB = 0`
H A D	dap.out.save	`62 NUMANG = 11 NPTRA = 12 NATYP = 6 NPHB = 0`
H A D	glu.out.save	`62 NUMANG = 6 NPTRA = 4 NATYP = 4 NPHB = 0`
H A D	glybk.out.save	`62 NUMANG = 12 NPTRA = 10 NATYP = 7 NPHB = 0`
H A D	Br.out.save	`62 NUMANG = 0 NPTRA = 0 NATYP = 1 NPHB = 0`
H A D	cym.out.save	`62 NUMANG = 2 NPTRA = 0 NATYP = 3 NPHB = 0`
H A D	cys.out.save	`62 NUMANG = 3 NPTRA = 1 NATYP = 4 NPHB = 0`
H A D	da.out.save	`62 NUMANG = 24 NPTRA = 13 NATYP = 12 NPHB = 0`
H A D	da5p.out.save	`62 NUMANG = 11 NPTRA = 12 NATYP = 6 NPHB = 0`
H A D	hip.out.save	`62 NUMANG = 15 NPTRA = 7 NATYP = 9 NPHB = 0`

12 3 4