annt
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From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Diogo Martins
de Sá [sadi...@mol.bio.br]
Sent: Monday, May 25, 2015 8:38 PM
To: gmx-users
Subject: [gmx-users] short-range eletrostatic en
Hello guys,
I'd like to do make an energy matrix of every aminoacid of a simulation
of two interacting proteins. I know enemat can assess the matrix, but
for this I have to define energygroups in .mdp files. What would be the
easiest way to achieve this?
I guess if I am going to find an easier w
Hello guys,
I'd like to do make an energy matrix of every aminoacid of a simulation
of two interacting proteins. I know enemat can assess the matrix, but
for this I have to define energygroups in .mdp files. What would be the
easiest way to achieve this?
Thanks in advance.
Regards,
Diogo
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