[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
problem?
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,
Selangor.
alternative email : syafiqahabdulghani at gmail.com @ GS33669 at mutiara.upm.edu.my
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