[gmx-users] Re: tpbconv extension

[ram bio]

Hi Justin,

The command was:

tpbconv -s memb12extnr42000ns.tpr -extend 1000000 -o memb12extnr43000ns.tpr

Thanks

Ram

On Mon, Dec 13, 2010 at 5:35 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> ram bio wrote:
>>
>> Dear Gromacs users,
>>
>> I am running a CG simulation for a peptide in lipid bilayer, and the
>> run didnot extend after 42000 ps using gromacs 4.0.7,
>>
>> Reading toplogy and shit from memb12extnr42000ns.tpr
>> Extending remaining runtime of by 1e+06 ps (now -2144967266 steps)
>> You've simulated long enough. Not writing tpr file
>>
>>  Please give your suggestions to overcome this error.
>>
>
> What was your command?
>
> -Justin
>
>> Ram
>>
>>
>>
>>
>> On Mon, Dec 13, 2010 at 5:26 PM, ram bio <rmbio861 at gmail.com> wrote:
>>>
>>> Dear Gromacs users,
>>>
>>> I
>>>
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> 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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