[gmx-users] simulating only few residues from whole protein]

[preetichoudhary at iisermohali.ac.in]

---------------------------- Original Message ----------------------------
Subject: simulating only  few  residues from whole protein
From:    preetichoudhary at iisermohali.ac.in
Date:    Tue, March 19, 2013 10:45 am
To:      gmx-users at gromacs.org
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---------------------------- Original Message ----------------------------
Subject:
From:    preetichoudhary at iisermohali.ac.in
Date:    Tue, March 19, 2013 10:44 am
To:      gmx-users at gromacs.org
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Hi,
can anyone tell me how to carry out simulations in which we take the whole
protein pdb structure but simulate only a certain part of it(only some
residues).???? what will be the mdp files for such simulations ???
please help me if you know how to do it.

-thankyou