[gmx-users] Print Charmm27 parameters
stavroscha at windowslive.com
Sat Apr 11 13:06:58 CEST 2015
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 ? 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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