[gmx-users] GMX to remove clashes?
liu4gre at gmail.com
Mon Nov 14 22:38:39 CET 2011
I am wondering if Gromacs can do the following work?
Assuming I have a pdb file of an RNA molecule. Some atoms may be too close
or even overlap, I am wondering if Gromacs can move the atoms to reasonable
positions and remove the bad contacts? The final structure is supposed to
be the "most" stable structure with minimal energy. I know AMBER
minimization can do this work, and I am wondering if Gromacs can do the
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