[gmx-users] where is the forcefield parameter read in?

Yang Ye leafyoung81-group at yahoo.com
Fri Jan 20 11:50:27 CET 2006


jiqing wrote:
> Hi :
> happy new year every one!
> where is the forcefield parameter read in?
> Is it done at "grompp" for getting *.tpr or after this process ?
Before and during "grompp", the topology contains part of the
forcefield, for residue information. While the others, atom, pair
interaction, vdw, are taken during grompp.
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-- 
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/



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