VMD-L Mailing List

From: Rasoul Nasiri (nasiri1355_at_gmail.com)
Date: Tue Dec 24 2013 - 02:30:03 CST

Dear all,

I have been trying to build up a tpr file in order to analysis my MD
simulations by GROMACS.

1- My potential (ReaxFF) is not supported GROMCAS, therefore I have to
construct tpr file manually, hopefully by VMD.

2- All bonds/charges are updated based on the bond order method.

I just wondering whether there is any plug in in VMD can consider point of
(2) for constructing a .tpr?

Best,
Rasoul