Dear all, I am a little confused with the statement in the pdb2gmx man page: "with GROMOS we recommend SPC, with OPLS, TIP4P: spc , spce ..."
What is the specific reason behind this recommendation? What kind of problems there might be if I want to use SPC/E water for a polymer (hydrocarbon) in water system within ffG43a2 force field? Second part of my question: The Gromacs topology directory provides only spc216.gro file. Is the configuration file (to be used with genbox) same for both spc and spce? Is it enough just to use the "-water spce" flag in pdb2gmx to make sure I am using SPC/E water, while genbox uses the default spc216.gro? Regards, -- Suman Chakrabarty -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. _______________________________________________ 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
