VMD-L Mailing List

From: Marc Baaden (baaden_at_smplinux.de)
Date: Thu Apr 22 2004 - 02:52:23 CDT

Davide,

did Axel Kohlmeyer's suggestion work ? I think it should solve your problem.

axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de said:
>> try using the preprocessed topology file, i.e. the one you get from
>> using grompp's -pp option.

Another general remark:

johns_at_ks.uiuc.edu said:
>> I don't personally know anything about Gromacs yet, but if that
>> doesn't pan out, the next option would be for someone to write a real
>> Gromacs .top reader plugin for VMD

It's probably not the right time to do this. As far as I know the Gromacs
topology format is supposed to change in the future. The next major Gromacs
release will probably use an XML (CML?) base topology. Thus I'd expect that
the current topology format will soon become superseeded and obsolete.

Best wishes,
  Marc Baaden 

-- 
 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
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