Dear users, I have the following error with grompp before minimization. I defined opls_996 for C atom by myself. Any suggetions to solve it?
best trevor WARNING 1 [file ffbonded.itp, line 2703]: Overriding Bond parameters. old: 0.151 292880 0.151 292880 new: C C 1 0.14210 478900 ERROR 1 [file ffbonded.itp, line 2709]: Not enough parameters Generated 332520 of the 332520 non-bonded parameter combinations Generating 1-4 interactions: fudge = 0.5 Generated 332520 of the 332520 1-4 parameter combinations ------------------------------------------------------- Program grompp, VERSION 4.5.3 Source code file: toppush.c, line: 1166 Fatal error: Atomtype opls_996 not found
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