Dear friends, I have the following topology for system including CNT+peptide+water When I grompp for minimization, I got the following error. How can I solve it?
best wishes 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 ------------------------------------------------------- Program grompp, VERSION 4.5.3 Source code file: topio.c, line: 675 Fatal error: Syntax error - File forcefield.itp, line 20 Last line read: '1 3 yes 0.5 0.5' Found a second defaults directive. TOPOLOGY ; Include forcefield parameters #include "oplsaa.ff/forcefield.itp" ; Include topology for CNT #include "cnt.itp" ; Include topology for UW1 #include "uw1.itp" ; Include water topology #include "oplsaa.ff/spc.itp" [ system ] ; Name Protein and CNT in water [ molecules ] ; Compound #mols Protein 1 CNT 1 SOL 4019
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