[gmx-users] Question About Force Field

Monique Brito moniquebrito at yahoo.com.br
Tue Nov 29 13:32:52 CET 2005


I'm doing little simulations (10 ps) just for
obtaining the interaction
energies of my ligand and some residues around it
in vacuo.
But the PRODRG program available in web just
works well with the gromacs force field, option
number 4 in gromacs 3.2.1
I was asked about the validity of using this
force field when there is a specific FF for the 
simulation in vacuo.
Can you comment this question?

 Yahoo! doce lar. Faça do Yahoo! sua homepage.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051129/8d343156/attachment.html>

More information about the gromacs.org_gmx-users mailing list