Respected Sir,
I have problm with simulation of aromatic structures in methanol...the error
which comes is like...
checking input for internal consistency...
calling /usr/bin/cpp...
processing topology...
Generated 1284 of the 1485 non-bonded parameter combinations
Cleaning up temporary file gromppu2ZcH8
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: topio.c, line: 388
Fatal error:
Invalid order for directive atomtypes, file ""methanol.itp"", line 3
-------------------------------------------------------
I have checked all the files...and the program runs fine for aliphatic
structures....
Please tell me the point where i am making a mistake...
With Regards
Radhika
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