[gmx-users] build itp file using martinize.py
adrianagarrosl at gmail.com
Wed Oct 29 15:42:57 CET 2014
Dear gromacs users,
I am working on a system which is builded step by step so I use the output
file like input file in the next simulation, I am trying to build a stack;
it is coarse grained combined with TMD. I want to create a topology (itp
file) from a coordinate file (gro file) but when I try to run martinize.py
it gives me an error because the gro file is already coarse grained. how
can I create the topology of my new system which has been increased in one
I would really appreciate some help, I can provide more information if it
is not clear.
Thanks in advance!
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