[gmx-users] retaining the active site water molecules in the protein -reg

venkatesh s svenkateshbioinformatics at gmail.com
Wed Oct 15 11:06:54 CEST 2014

In my task some water molecules in one protein active site and it playing
one of the role of interactions and binding affinity
if i want retain that water molecules in active site  to preform the
simulations what i want to do ? further


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