[gmx-users] creat .gro; select force field
gromacs
ptf1242 at 163.com
Fri Dec 3 05:45:02 CET 2010
Hi users:
I run pure water MD. I need to run different water models. How can i get spce.gro, which means how can i get .gro of spce water?
How can i get .gro of TIP4P?
If i select TIP4P water model, which force field should i select? you know, i need .top, and .top should include force field.
If i select SPCE water model, which force field should i select?
I can find a spc216.gro, which is default solvent. I can use genbox to generate a box of solvent (spc water). how can we use other solvent, so we need to have the .gro of the solvent.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101203/d59a5430/attachment.html>
More information about the gromacs.org_gmx-users
mailing list