[gmx-users] Re: How constrain specefic regions of a protein
feenstra at few.vu.nl
Wed Jun 15 17:37:40 CEST 2005
Kirti Patel wrote:
> Dear Anwar,
> I think you want to apply distance restraints, for these you have to make disre.itp file as
> described in the manual page no. 66 of 3.1.1 version.
> Go through it you will get sotlution to your problem.
> Have a nice time
> Kirti Patel
> Dear all,
> I want to know how to constrain specific regions of a protein like
> region 35-50, 80-95 for MD.
> thanks in advance
Make an index group of that region (e.g. with make_ndx) and then a
posres.itp file (with gen_pr). You can also do it all manually or with
scipts, if you'd prefer.
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