[gmx-users] water-air interface surface tension

gromacs ptf1242 at 163.com
Thu Dec 9 09:20:06 CET 2010


Hi, experts,
 
I'd like to calculate the surface tension at water-air interface using Gromacs.
which ensemble should i choose?
 when i run simulation, .mdp how can i select p-coupling?
 
whether should i use p-coupling?
 
I can creat a air-water-air structure (.gro)
 
Thanks?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101209/b1ab4fe6/attachment.html>


More information about the gromacs.org_gmx-users mailing list