> Dear gmx users, > Dear Mark thank you very much for your > suggestion. I would like to do MD simulation at > perticular pH.
This requires an implicit solvent model, which GROMACS doesn't do, and so no force field for GROMACS is fit to work with an implicit solvent model anywhere else either. > I think that in AMBER it is > possible but I have some problems regarding > lipid bilayer parameters. Because of this I > would like to convert gromacs lipid parameters > to AMBER parameters. Is any formula to convert > gromacs to amber parameters. > I am able to convert gromacs file format > to AMBER file format. My question is > conversion of parameters (force > constant, phi values, bond lenths, > dihedral parameters etc..) You could do this, but it won't work and nobody will spend time helping you to do it. Force fields are parameterized to reproduce some experimental values under various conditions. You're proposing to change those conditions radically. You need to find some lipid parameters suitable for your problem conditions. I'd also suggest doing some more background reading on molecular dynamics, since this is pretty basic stuff. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
