[gmx-users] error after genion
Carsten Baldauf
carsten.baldauf at biotec.tu-dresden.de
Thu Dec 14 12:03:15 CET 2006
after i added ions using genion i get this error when i try to run
grompp again:
Generated 165 of the 1596 non-bonded parameter combinations
Cleaning up temporary file grompphYfrXb
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 891
Fatal error:
moleculetype CL- is redefined
-------------------------------------------------------
what am i doing wrong?
cheers//
carsten
--
dr carsten baldauf
biotechnologisches zentrum der tu dresden
http://www.biotec.tu-dresden.de/pisabarro
http://www.biotec.tu-dresden.de/~carstenb
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