VMD-L Mailing List
From: conor parks (coparks2012_at_gmail.com)
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.
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 <
> 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).