[gmx-users] Including and itp file, for a residue

Arneh Babakhani ababakha at mccammon.ucsd.edu
Sat May 6 00:54:18 CEST 2006

Hi, I'm trying to include the files dmpc.itp and lipid.itp , so that 
pdb2gmx will recognize it when building my membrane toplogy.

Where exactly do I place the statement:
#include "dmpc.itp"
#include "lipid.itp"


I tried placing it in ffG43a2x.itp (that's the forcefield I'm using). 

But I keep getting the following error:

Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 438

Fatal error:
Residue 'DMPC' not found in residue topology database


I know this has been hashed out in previous messages, so I'm sorry for 
bringing it up again, but I can't seem to get it to work!



More information about the gromacs.org_gmx-users mailing list