On Sunday 12 November 2006 10:42, Tsjerk Wassenaar wrote: > Probably someone will have a topology and a structure file for TFE > lying around (not me). But TFE isn't the worst of molecules and since > your new with Gromacs, I think it would be an excellent opportunity to > get acquinted with the program and force fields by parameterizing it > yourself. Find the paper of your favorite force field (choose one) and > check how the parameterization of the building blocks / molecules was > done. Take the same steps for TFE. > > Maybe this isn't the answer you'd hoped for, but think of the saying > "give a man a fish and he can eat for a day; teach a man how to fish > and..." :)
That's always a good approach, but for starters you might want to take a look at tfe.itp in the share/top directory. -- Groeten, Paul van Maaren _______________________________________________ gmx-users mailing list [email protected] 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
