From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Sat Apr 23 2011 - 13:07:20 CDT
Most probably I wasn't clear enough. You are entirely right that
"colvarsTrajFrequency" same as dcd frequency will give output as I
expect from described script, still if frequency is set on different
value (more frequent sampling) for posterior analysis of different type,
not just for comparision with dcd, such script will be useful.
Generally, as 'cutdcd' already exist I suppose that someone maybe make
similar script for colvars.traj. Thank you very much for prompt respond
On 4/23/2011 7:54 PM, Wang Yi wrote: Hi Branko,
I might have misunderstood your question. But shouldn't setting
"colvarsTrajFrequency" to your DCD frequency do the job?
Yi (Yves) Wang
? 2011-4-23,??1:28, Branko ??:
> Dear NAMD users,
> I recognized as potentially very useful tool that could extract data
> from colvars.traj file (indeed 2.8b1 record each step and give good
> output, different of some 2.7 releases), recording for example every
> 100, or 1000th line, in order to produce file comparable with
> trajectory frequency. If anyone already made such script I'll
> appreciate information about this.
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