victor doss wrote:
Hello,
when I run grompp I get the following error message always. Whoever
has a correct fix to get rid of this error message and get the actual
result, Please suggest.
Thanking you
Dr. Victor A. Doss
processing topology...
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
Excluding 3 bonded neighbours for Protein_A 1
Excluding 2 bonded neighbours for SOL 82
Excluding 2 bonded neighbours for SOL 9514
NOTE:
System has non-zero total charge: 8.000000e+00
processing coordinates...
double-checking input for internal consistency...
-------------------------------------------------------
Program grompp, VERSION 3.3.3
Source code file: ../../../../src/kernel/grompp.c, line: 1134
Fatal error:
There were 3 error(s) processing your input
-------------------------------------------------------
"Can't You Make This Thing Go Faster ?" (Black Crowes)
The error messages themselves are actually printed above in the grompp output.
Those are what you need to solve. Search the list archive for the error
messages, as well as the wiki site.
-Justin
d...@dv-laptop:~/g
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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