[gmx-users] problem in creating topol.tpr file
tsjerkw at gmail.com
Thu Feb 26 13:18:23 CET 2009
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On Thu, Feb 26, 2009 at 1:03 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> nitu sharma wrote:
>> Dear All,
>> I want to run the gromacs 4.0.3 but I am unable in
>> creating topol.tpr file when I put the grommp command it shows error like
>> "Program grompp, VERSION 4.0.3
>> Source code file: gmx_fatal.c, line: 481
>> Fatal error:
>> Too many warnings (1), grompp terminated.
>> If you are sure all warnings are harmless, use the -maxwarn option."and
>> after putting the command "gmxdump -s topol.tpr" the output shows is -
>> "Program gmxdump, VERSION 4.0.3
>> Source code file: gmxfio.c, line: 736
>> Can not open file:
>> could you please let me know about what problem is existing and what could
>> be the solution of this problem.
> Surely grompp has printed what the warning was (as it did in a previous
> message you sent). Read the warning, fix whatever it is, and try again.
> Certainly gmxdump won't work, because topol.tpr never got created.
>> Thank you very much in advance.
>> Nitu Sharma
>> Structural Biology lab
>> Schoolof life Sciences
>> Jawaherlal nehru university
>> New Delhi, India
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> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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