[gmx-users] Re: termini database
Y U Sasidhar
sasidhar at chem.iitb.ac.in
Mon Mar 11 14:16:22 CET 2002
On Mon, 11 Mar 2002, Y. U. Sasidhar wrote:
>How can I add CH3CO ( ACE ) ; NHCH3 ( NAC )entries to gromos force field
>.tdb files ?
These are already in the rtp files, you have to rename the residue to ACE
or NAC, and select none for the termini
However, I don't have CH3CO, NHCH3 'residues' in pdb file, i.e, I don't
have their coordinates in pdb file. That's why I want to add these to
.tdb files for gromos force field so that pdb2gmx will add these.
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