??????? ????? wrote:
Dear gmx-user
I am a very new user in gromacs. I encounter the problem with
coarse-grained option in gromacs.
I have installed the option from the MARTINI tutorials which is
“gromacs_reverse.tar.gz”.
It is ok with following the tutorial to do the coarse-graining but when
I want to do all atomistic simulation, the mdrun program will ask for
“coarse.xtc” file.
What should I include for that file. Could you please help me to figure
out this problem.
Assuming this is some modified version of GROMACS, does its
documentation suggest that you can do normal simulations with the same
executable? If not, you'll need to manage having two installations.
Mark
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