[gmx-users] dPCA - trajectories

Fabio Affinito affinito at sissa.it
Wed Aug 29 06:36:07 CEST 2007


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?


Fabio

>
> Mark
>
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----
Fabio Affinito, PhD
SISSA/ISAS - Statistical and Biological Physics

Via Beirut, 4	  					email: affinito at sissa.it
34014 Trieste					phone: +39 040 3787 303
ITALY							fax: +39 040 3787 528




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