VMD-L Mailing List

From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Tue Feb 15 2005 - 10:42:06 CST

Hi All,

I used the psfgen's patch command to protonate GLU, ASPs to study the
effect of lower pH.
Is there a similar patch command to un-protonate the GLU, ASP in the
final structure obtained from the above simulation in order to study the
reversibility of the reaction.

Thanks in advance,

Gaurav