Dear all,
I just constructed conformational potential of mean force (PMF) of one
protein using umbrella sampling. Is it possible to decompose PMF into
electrostatic and van der Waals contributions? I want to do it because it
may provide some clues about effect of different forces on conformational
PMF.
Thanks in advance
Best regards,
Zhongqiao
Bioinformatics Institute, A*STAR, Singapore
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Dec 19 2013 - 02:00:02 PST
