[gmx-users] new type atom again!!!!Help me!!!
nanyu101
nanyu101 at sina.com
Fri Dec 13 04:22:10 CET 2002
Hi,
All gmx-users,would some one give me some advice about how to create new atom type in atp file.I have tried to created it,but system told me below;
Residue 3Fatal error: Atom type OG (residue PPF) not found in atomtype database
I have checked my ffgmx.atp file,I can't find any wrong in it?
O 15.99940 ; CARBONYL OXYGEN (C=O)
OM 15.99940 ; CARBOXYL OXYGEN (CO-)
OA 15.99940 ; HYDROXYL OXYGEN (OH)
OW 15.99940 ; WATER OXYGEN
OP 15.99940 ; PPF OXYGEN
OG 15.99940 ; PPC OXYGEN
N 14.00670 ; PEPTIDE NITROGEN (N OR NH)
NT 14.00670 ; TERMINAL NITROGEN (NH2)
NL 14.00670 ; TERMINAL NITROGEN (NH3)
NR5 14.00670 ; AROMATIC N (5-RING,2 BONDS)
NR5* 14.00670 ; AROMATIC N (5-RING,3
OP and OG are my new atom types.Would somebody please check it for me?
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