[gmx-users] multiple chain

Nur Syafiqah Abdul Ghani pqah123 at gmail.com
Fri Sep 6 04:09:15 CEST 2013

Hi all,

Need your help to explain more about this multiple chain.I would like
to do a simulation with a multiple type identical protein. By using
the instruction that gromacs wrote in
'http://www.gromacs.org/Documentation/How-tos/Multiple_Chains', seem
that i'm a bit lost when it tells us to us the .top file for grompp
input and need to change the coordinate..Any one had facing this time

Btw i already do the pdb2gmx command for single protein and only don't
understand after i put the number of amount of protein that i want in
.top file.

Thanks in advance.

Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
alternative email : syafiqahabdulghani at gmail.com @ GS33669 at mutiara.upm.edu.my

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