[gmx-users] Re: on MD at constant pH (Acoot Brett)
ggroenh at gwdg.de
Wed Mar 28 14:22:47 CEST 2012
You could have a look at
Donnini et al, JCTC 7 (2011), 1962-1978
And with teh code available from
give it a try for your problem.
> 1. on MD at constant pH (Acoot Brett)
> Dear All,
> Currently is it possible to run MD at a constant pH value?
> I am looking forward to getting a reply from you.
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