[gmx-users] Print Charmm27 parameters

Mark Abraham mark.j.abraham at gmail.com
Tue Apr 14 11:01:47 CEST 2015


On Sat, Apr 11, 2015 at 1:06 PM, Stavros Chatzieleftheriou <
stavroscha at windowslive.com> wrote:

> Dear all,
> I am new to Gromacs and I have a simple question. How can I get the exact
> force field parameters used for my .pdb file (i.e. kb and bo for bonded
> terms, kth and tho for angle terms e.t.c.) from Gromacs ?

These are all looked up from the database for each force field. Manual
chapter 5 talks about how all this machinery works.


> At the topol .itp file I can see the connectivity between the atoms but
> not the rest of the information I need. Is there a specific command that I
> should type?
> Thanks in advance,
> Stavros ChatzieleftheriouPhD Candidate at the National Technical
> University of Athens
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