Arneh,
> How does one build a topology using a different force field (say for > instance, oplsaa)? Is there a simple way to do it, I think OpenEye (or someone else, I forget whom) has some sort of automatic parameterization tool for OPLS that automatically generates parameters. Of course, this is not the same as a topology. Another option is using the Antechamber package. If you have AMBER, I have a conversion script you can use that will convert Antechamber's AMBER topologies and coordinates into GROMACS topologies and coordinates. This is pretty much a fully automatic process, so it is fairly painless. David Hi, David, That is very good. Could you send it to me or put it online so that every one can download it? Zhongqiao _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
