Hi Carsten,
You've included "ions.itp" twice... Note that this has crossed the
mailing list recently and you could've found the answer by searching
the archive.
Tsjerk
On 12/14/06, Carsten Baldauf <[EMAIL PROTECTED]> wrote:
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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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
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