[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



More information about the gromacs.org_gmx-users mailing list