[gmx-users] Anisotropic Pressure

[David van der Spoel]

Matteo Guglielmi wrote:
> Hello Folks,
> 
> Is there any difference between these two anisotropic pressure setup?

have you tried? if so you know the result. if not, why not?
> 
> ### 1st setup ###
> 
> pcoupl                   = berendsen
> pcoupltype               = anisotropic
> tau_p                    = 5.0      5.0      5.0      0.0    0.0    0.0
> compressibility          = 4.53e-5  4.53e-5  4.53e-5  0.0    0.0    0.0
> ref_p                    = 1.025    1.025    1.025    0.0    0.0    0.0
> 
> 
> ### 2nd setup ###
> 
> pcoupl                   = berendsen
> pcoupltype               = anisotropic
> tau_p                    = 5.0      5.0      5.0      5.0    5.0    5.0
> compressibility          = 4.53e-5  4.53e-5  4.53e-5  0.0      0.0      0.0
> ref_p                    = 1.025    1.025    1.025    1.025  1.025  1.025
> 
> 
> Which one would you suggest for anisotropic coupling (solvated pore
> immersed into a membrane)
> 
> 
> Thanks,
> MG.
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
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://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++