[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.
 
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