Junfang.Zhang at csiro.au Junfang.Zhang at csiro.au
Fri Dec 23 01:47:16 CET 2005

Dear  Yang Ye,


I thank you so much for guiding me.


I wish you and all the Gromacs users a merry Christmas, and a great and
prosperous 2006!!!



All the best,







-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Yang Ye
Sent: Thursday, 22 December 2005 6:10 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users]


Try use table (see manual 6.4.2). Note that there is new option
available in 3.3 that you can assign different table for the
interactions between different groups of atoms. Check 3.3's document
(share/html/online.html), section "mdp option".

Yang Ye

Junfang.Zhang at csiro.au wrote: 

Dear Gromacs users,
If I use the MCY potential which takes the form as follows
(a exp (-br) - c exp (-dr) + qq/r),
which source files in GROMACS do I need to modify?
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Yang Ye
Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Tel: 6316-2884

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