Hi, Your objects look very familiar for me. :)
One can't make .gro from .itp. You should first make .pdb with coordinates. By the way gromacs works with .pdb directly. Good luck, Vitaly > Thanks a lot for your reply. Actually I will tell you the > problem. I want a binary mixture of DMF and methanol. Then I want to study > the self diffusion coefficient as function of mole fraction of ant of the > component. Now I got a reference about DMF. They used CS2 model with six > interaction sites of DMF. So I took all the parameters and wrote a separate > itp file. _______________________________________________ gmx-users mailing list [email protected] http://lists.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
