[gmx-developers] pdb2gmx segmentation fault

[Ran Friedman]

Hi,

pdb2gmx doesn't crash on my system now - thanks for the fix.

A minor issue with CHARMM-FF: the output of pdb2gmx gives:
Making cmap torsions...there are    0 cmap torsions
There are    0 dihedrals,    0 impropers,  639 angles
             0 pairs,      639 bonds and     0 virtual sites

In reality there are more than 0 dihedrals, impropers and CMAP torsions.

Ran.

Berk Hess wrote:
> Hi,
>
> Indeed there was an issue with the residue indexing,
> the chain identifiers with multiple (water)chains were messed up.
> I committed the fix.
>
> Berk
>
> Ran Friedman wrote:
>   
>> Hi,
>> No - the problem persists with the current version.
>> Ran
>>
>> Erik Lindahl wrote:
>>   
>>     
>>> Hi,
>>>
>>> We just (literally, yesterday) fixed a potential problem in the XTC
>>> writing of uchars, which caused some residue chain identifiers to be
>>> corrupted in amber03. Check the latest git version and see if it
>>> solves this too!
>>>
>>> Cheers,
>>>
>>> Erik
>>>     
>>>       
>> _______________________________________________
>> 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 the 
> www interface or send it to gmx-developers-request at gromacs.org.
>
>   

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20090713/7fcbae8d/attachment.html>