[gmx-users] Application of external forces during MD run
jmsstarlight at gmail.com
Thu Feb 2 09:48:00 CET 2012
Dear Gromacs Users!
I'm looking for some tutorial for the example of the biased MD driven by
appication of the external forces.
For example I have simple system wich consist of the peptide (small
membrane chanell) in vacum where I study effect of some point mutations on
the tight packing (primarily vdv interactions) in that peptide.
In more detailes I want to investigate stability of the mutated peptide by
introducing of the motion of some functional relevant rotameric swithes. So
I'm looking for possibility to apply of external forces on that rotameric
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