Hi all,
I am going to do umbrella sampling. My restraints are of the form
&rst iat=15360,15377, r1=0.0, r2=11.8, r3=11.8, r4=100.0, rk2 = 30.0, rk3
= 30.0, /
where r2/r3 have been specified as the Cartesian distance between the two
atoms specified by iat. Does PMEMD support umbrella sampling with this kind
of constraints?
Thank you
Sajeewa Dewage
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 06 2012 - 23:00:02 PST
