I have tabulated potential for all the possible combinations(non bonded). I am using Tip4p water model for the polymer water interaction. While running the energy minimization i got the error like below.
Fatal error: Settle block crossing node boundaries constraint between atoms 664, 665, 666) For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors Any idea to slove this issue.? Thank you, Udaya. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
