[gmx-users] dPCA - trajectories

[David van der Spoel]

Fabio Affinito wrote:
> 
> On 29/ago/07, at 04:11, Mark Abraham wrote:
> 
>>> Dear all,
>>>
>>> Using
>>>
>>> g_angle -f ../trj1_0_100.xtc -s ../g_prot.tpr -n test.ndx -or -type
>>> dihedral -e 10000
>>
>>> g_covar -f traj.trr -s dummy.gro -nofit
>>>
>>> It seems like the trajectory is of a different length, because a
>>> different timestep seems to be used:
>>
>> Well, you are using a different trajectory file...
> 
> It is different because it is made of angles, not of coordinates. But 
> the length, the numbers of frames and the timestep should be the same. 
> Shouldn't it?

there was a question about this two days ago which I answered. this is 
most likely a (harmless) bug.

> 
> 
> Fabio
> 
>>
>> Mark
>>
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> 
> ----
> Fabio Affinito, PhD
> SISSA/ISAS - Statistical and Biological Physics
> 
> Via Beirut, 4    email: affinito at sissa.it <mailto:affinito at sissa.it>
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> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se