[gmx-users] rtp entry

ASHWINI JAYAPRAKASH ashjay012 at yahoo.com
Wed Jun 20 05:44:27 CEST 2007


Hi,
 
I am a new gromacs user and have problems creating a topology file using the pdb2gmx command for simulating a six helix bundled alamethecin in lipid bilayer.
when I use the command :
pdb2gmx -f almN6start -o almN6start.gro -p almN6start.top
 
I get the error :
 
Program pdb2gmx, VERSION 3.3.1
Source code file: pdb2gmx.c, line: 393
Fatal error:
Atom CA in residue ACE 1 not found in rtp entry with 6 atoms
             while sorting atoms
       
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