Dear Gromacs Specialists, I have one problem about g_fg2cg. I want convert structure of butanole in fg to cg by g_fg2cg, but I take this error:
"Program g_fg2cg, VERSION 3.3.1 Source code file: gmxfio.c, line: 735 Range checking error: Variable fio has value -1. It should have been within [ 0 .. 1 ] Please report this to the mailing list ([email protected])" May I ask you to help me, Please? Thank you very much in advance Best Regards Dina
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