[gmx-users] pH based calculation

[João Henriques]

​Please be more specific. Your message is incredibly vague.

If you're looking for constant-pH MD methods, get acquainted with this old
thread first, to avoid repetition:

http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation

It is a summary of a lot of old emails where the subject has been
addressed. I am openly biased towards Baptista's method, as I've worked in
a group that was directly involved in the method's development. Others will
probably have a different stance regarding this subject.

Best regards,
João


On Tue, Jun 3, 2014 at 11:05 AM, Praveen Kumar <pravink068 at gmail.com> wrote:

> Dear Gromacs users,
>
> I want to do some pH based analysis. Can anybody suggest me right way to
> proceed further ?
>
>
> Thanks.
>
> PRAVEEN KUMAR
> Research scholar
> INDIAN INSTITUTE OF SCIENCE
> EDUCATION AND RESEARCH PUNE
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