From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed May 30 2012 - 17:15:03 CDT
Hello Sanxing, can you please write in more detail what do you mean by
"pairinteractions"? It may very well be that you can do this easily, both
with colvars and with tclForces.
On Wed, May 30, 2012 at 6:01 PM, <sanxing.xu_at_gmail.com> wrote:
> Dear NAMD users,
> I am trying to run NAMD simulation to generate the PMF with
> pairinteractions as a reaction coordinate.
> One way to do this is to use the colvar module in NAMD, umbrella sampling
> followed by WHAM. Unfortunately, in terms of the user guild of NAMD,
> pairinteraction is not the predefined colvar in NAMD.
> Therefore, I am wander if this can be done by using the user defined force
> (tclforce). But I don't know how. Could you please let me know whether you
> have any suggestions to solve this issue?
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:22:02 CST