[gmx-users] Freezing part of the molecules!!!
Marcelo Fabricio Masman
mmasman at gmail.com
Wed Jun 7 16:08:51 CEST 2006
I am trying to run a MD simulation with part of my system frozen. I was
looking into the manual but I couldn't find the answer since the manual says
the way for freezing complete groups. I would like to freeze only a part of
my protein and permit the completed optimization of the rest. For example,
my protein group has 5 protein chains with 42 residues each of them. I would
like to freeze (in all directions) the alfa Carbon atoms for residues 18-42
for each chain. Does somebody know if it is possible to do such thing with
GROMACS? Can somebody help me?
Thanks a lot, in advance
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