Dear Experts, Hi, I am using OPLSAA forcefiled and tried to use implicit solvent. But There may be some problems. how can i solve this problem??
GB parameter(s) missing or negative for atom type 'opls_267' GB parameter(s) missing or negative for atom type 'opls_269' GB parameter(s) missing or negative for atom type 'opls_268' GB parameter(s) missing or negative for atom type 'opls_270' GB parameter(s) missing or negative for atom type 'opls_111' GB parameter(s) missing or negative for atom type 'opls_401' ------------------------------------------------------- Program grompp, VERSION 4.5.1 Source code file: grompp.c, line: 870 Fatal error: Can't do GB electrostatics; the forcefield is missing 6 values for atomtype radii, or they might be negative . For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- Thank you, Hyun -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
