On 2012-04-16 08:26:00AM -0700, Shima Arasteh wrote: > Dear GROMACS users, > > I reproduced the results of a protein-membrane system by using force field > GROMOSE87. This protein forms ion channel in membrane. > Now if I wanna study the ion conduction through this channel using force > field CHARMM27 in umbrella sampling method, is it possible? Can I use the > results of the system simulation which has been derived by GROMOS87?
By definition, switching to a different forcefield like that usually requires the regeneration of the system's topology, so your new system will be different from your old one anyway. In addition, you may need to rename the atoms in the coordinate files obtained from previous gromos runs to match those in the charmm27 residue files. -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists