[gmx-users] Different impacts in the pressure

Mikhail Stukan mstukan at slb.com
Tue Aug 31 15:05:32 CEST 2010

Dear Gromacs users,

I am quite new in gromacs, so maybe I am missing something obvious.
Is there any standard option/function to calculate different impacts into the pressure tensor (i.e. due to VdW interactions, due to bonded interaction, due to electrostatics etc.) ?

Thanks a lot in advance,

Dr Mikhail Stukan
Schlumberger Dhahran Carbonate Research Center,
Dhahran Techno Valley  - KFUPM,
P.O. Box 39011, Dammam / Doha Camp  31942,
Kingdom of Saudi Arabia
Tel: +966 3 331 0300 ext 6182
Fax:+966 3 330 0845
mstukan at slb.com<mailto:mstukan at slb.com>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100831/f3c297c8/attachment.html>

More information about the gromacs.org_gmx-users mailing list