[gmx-developers] Release date for Gromacs 4.0.6?

[Justin A. Lemkul]

XAvier Periole wrote:
> 
> On Nov 2, 2009, at 10:15 AM, Chze Ling Wee wrote:
> 
>> Hi
>>
>> I wondered if there is a release date for Gromacs 4.0.6?
>>
>> I am seen the Gromacs bug with mdrun -append -cpi and trajectories 
>> larger than 2GB so I am looking for a fix.
> What is that bug?
> 

http://bugzilla.gromacs.org/show_bug.cgi?id=341

> A way around your problem (if there is one) is to generate a new tpr 
> file from
> the original using tpbconv with the -nstep option to extend the original 
> number
> of steps and then mdrun -cpi
> 

This only works if all files are < 2 GB, per the bug posted above.

-Justin

> 
>>
>> Kind Regards
>> Chze Ling
>>
>> _______________________________________________
>> gmx-developers mailing list
>> gmx-developers at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-developers-request at gromacs.org.
> 
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use thewww 
> interface or send it to gmx-developers-request at gromacs.org.
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
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

========================================