Hi All I am trying analyze the dynamics of polymer of GlcN residues using ffG53a6 force field. I included in toplogy file the follow sentence:
;Include GB Parameters [ implicit_genborn_params ] #include "mypath/MYgbsa.itp" The MYgbsa.itp is : ; atype sar st pi gbr hct CH1 0.18 1 1.276 0.190 0.72 ; C CH2 0.18 1 1.276 0.190 0.72 ; C H 0.1 1 1 0.115 0.85 ; H N 0.155 1 1.028 0.17063 0.79 ; N OA 0.15 1 0.926 0.148 0.85 ; O When I run grompp I have this error: ------------------------------------------------------- Program grompp, VERSION 4.5.3 Source code file: topio.c, line: 660 Fatal error: Syntax error - File test.top, line 12325 Last line read: '[ implicit_genborn_params ]' Invalid order for directive implicit_genborn_params For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- Any help would be appreciated Carmen -- 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
