On Mon, Apr 8, 2013 at 5:04 PM, Divya Sunil <[email protected]>wrote:
> hello, > > I have a protein in which I fixed Xenon in the binding sites. without > xenon, I used GROMOS96 53a6 force field for simulation. With Xenon, which > forcefield am I able to use? > Xenon is a non-standard molecule and you need to derive the parameters for it (refer to literature). Then you can use those parameters even with the 53a6 FF like any other non-standard molecule. > > thanking you > regards > > Divya > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * 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/Support/Mailing_Lists > -Anirban -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * 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/Support/Mailing_Lists
