[gmx-users] how to optimize hydrogen bonds before simulation?
Albert
mailmd2011 at gmail.com
Thu Mar 29 19:50:29 CEST 2012
Hello:
I am wondering is it possible to optimize hydrogen bonds network
before simulation? I've got some crystal solvent in the system and I
would like to optimize the hbond network even before building a solvent
system.
THX
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