[gmx-users] reference pressure,NPT, SPC water, 400 K

[Sunita Patel]

Dear gmx-users,

I want to do a NPT simulation at temperature 400 K for protein in box of
SPC water by using GROMOS forcefield. How much I should keep the reference
pressure to keep the liquid state of SPC water.

Thanks for any suggesstion.

Regards,
Sunita

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Sunita Patel
Biophysical Lab.,
Dept. of Chemistry,
Indian Institute of Technology(IIT) Bombay,
Powai, Mumbai, Maharashtra,
INDIA-400076.

Tel: (91)-22-25764176.
Email:sunita at chem.iitb.ac.in
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