Dear Andrzej,
I checked all of files and there is no problem in them. I before did it
(g_fg2cg) for one surfactant and was performed correctly.
I want to calculate the center of mass of atoms in one bead manually (each CG
bead is at the center of mass of the FG atoms that map to it) for cg.gro, is it
correct?
Please help me.
Best Regards
Dina
________________________________
From: Andrzej Rzepiela <[email protected]>
To: [email protected]
Sent: Wednesday, March 7, 2012 1:33 PM
Subject: g_fg2cg
Hey
Probably still smth wrong with your input files
As far as I remember you should have the fg.top with atomistic topology and
mapping included, cg topology in e.g cg.top that corresponds to fg.top and
fg.gro or xtc file, take a look on all this files and check if everything is
consistent
Andrzej
Andrzej Rzepiela
[email protected]
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