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

[David]

On Thu, 2004-04-29 at 20:16, Sunita Patel wrote:
> Dear gmx-users,
> 
> I want to do a NPT simulation at temperature 400 K for protein in box of
> SPC water. How much I should keep the reference pressure to keep the liquid state of SPC
> water.

it won't evaporate at 400 K. It's not water, only SPC. 

> Thanks for any suggesstion.
> 
> Regards,
> Sunita
> 
> -------------------------------------------------------------------------------
> 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
> -------------------------------------------------------------------------------
> 
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++