[gmx-users] Modify disre_fc during md

Andrei Istrate andrei_md at bk.ru
Mon Nov 2 19:44:24 CET 2009


>Andrei Istrate wrote:
>>
>> I would like to modify the force constant of some distance constraints during my MD.
>>I know this is not implemented in GROMACS and I'd like to modify the code.
>> I have read that it could be done in md.c, but I didn't find the variable dr_fc in this file.

>Why assume that's the variable name?

I have read about it there:  
http://lists.gromacs.org/pipermail/gmx-users/2006-February/020252.html

>> Tell me please what variable I should change and where can I find it.

>See http://lists.gromacs.org/pipermail/gmx-users/2008-June/034651.html
>for some ideas.

>Mark



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