[gmx-users] grompp error
trevor brown
trevorbrown34 at gmail.com
Wed Jan 19 03:07:15 CET 2011
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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