Dear all users, I had this problem and i dont know how to solve it.I need to create other co-solvent which does not have in pdb bank. I to optimize it by using GAMESS software and do RESP for charge calculation.When i do all this part there some error happened and I manage to solve that part. Unfortunately there are no coordinate that create. I have been told to do it by using amber for charge calculation before can use it in gromacs. Any suggestion to produce this cosolvent with pdb format?
Thanks. -- Best Regards, Nur Syafiqah Abdul Ghani, Theoretical and Computational Chemistry Laboratory, Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor. 013-7188131 alternative email : syafiqahabdulgh...@gmail.com -- 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
