TCL force

From: BIN ZHANG (zhngbn_at_gmail.com)
Date: Mon Sep 22 2008 - 20:40:59 CDT

Hi, All:

      I was trying to use the TCL force utility of NAMD to apply some
forces on the system. Since the calculation of the force is a little
complicated, I don't want to use TCL to calculate it. So my question
is : can I write a FORTRAN code and compile it as an executable, then
in the calforces procedure, using :
set force [./FORTRAN_force $variable] to get the force?(assuming the
FORTRAN_force is an executable compiled from source code).

       If I want to run NAMD in parallel, do I need to copy the
executable to each node explicitly?
       Thanks a lot in advance.

Bin

  
    

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:49:51 CST