[gmx-users] tip5p water model with 53a5

wei yang weiyangmiami at gmail.com
Wed Apr 8 22:05:46 CEST 2009

Hello all:
   I'm trying  53a5 force field with different water models. I've run into
problems when trying to add ions to the system.
Specifically, when adding Na and Cl ions to a tip5p water model system.
Here's the error message that I got

Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 1293

Fatal error:
No such moleculetype SOL

I dont understand why it's complaining about no moleculetype SOL because
I've included tip5p.itp in my topology file. I searched the archive and no
one else seemed to have similar problems, so any help would be appreciated.
Thanks again

Wei Yang
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