[gmx-users] which files to correct?

Mu Yuguang (Dr) YGMu at ntu.edu.sg
Tue Aug 2 10:38:52 CEST 2005


Should be in ions.itp and under the subgroup of GROMOS 

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Magnus Andersson
Sent: Tuesday, August 02, 2005 4:36 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] which files to correct?

Hi again,

got a bit confused about which files to correct when adding an ion to FF
GROMOS96? I have the following files :

ffG43a1.itp
ffG43a1.rtp
ffG43a1bon.itp
ffG43a1nb.itp
ions.itp
vdwradii.dat
ffG43a1.hdb

Which files shall I make corrections in and, if possible :), how?

Greetings & thanks for earlier replies which helped a lot / Magnus
Andersson

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