From: conor parks (
Date: Sun Dec 13 2015 - 15:11:11 CST

No problem! In the absence of a VMD script, the minimum energy path
solution would probably be to just add a function to the C code that writes
a grofile containing the coordinates of the atoms deemed solid. I have that
subroutine in fortran if you need it.


Conor Parks
B.S.E in Chemical Engineering, University of Michigan, 2012
PhD candidate in Chemical Engineering, Purdue University

On Sun, Dec 13, 2015 at 2:41 PM, Alaina Emmanuel <> wrote:

> Thank you Conor!
> I actually had a look at this package earlier and will definitely try it
> out again. I was just wondering if anyone had managed to do so using VMD as
> well (in order to aid with visualisations).