[gmx-users] Different impacts in the pressure

[Mikhail Stukan]

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,
Mikhail


=============================================
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>

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