[gmx-users] DFLEXIBLE option
hmkvsri at gmail.com
Tue May 10 13:49:19 CEST 2011
I wanted to know when DEFINE = -DFLEXIBLE has to be used.
its given in the manual that it has to be used when we require flexible
water instead of rigid waters, so if I am using tip4p water model and
OPLSAA force field, and i use DFLEXIBLE option in EM and not in
position MD, is there anything wrong? Kindly clarify my confusion.
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