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 [email protected]<mailto:[email protected]>
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