Can you try to below?
trajin cor_vel.nc mdvel 1ns.mdvel # I think you need to put 1ns.mdvel here.
velocityautocorr :WAT usevelocity out velocity_corr_wat tstep
0.1 direct norm
Hai
On Sun, May 15, 2016 at 9:34 AM, ATUL KUMAR <atul44_sit.jnu.ac.in> wrote:
> Dear Amber User,
>
> I am trying to calculate velocity auto-correlation by velocityautocorr
> function in cpptraj. for this I have combined my trajectory coordinate
> file(
> md.nc) and velocity information file(.mdvel). for this I am using this
> command in cpptraj input file
>
> *trajin cor_vel.nc <http://cor_vel.nc>*
> *velocityautocorr 1ns.mdvel :WAT usevelocity out velocity_corr_wat tstep
> 0.1 direct norm*
>
> here cor_vel in my trajectory with velocity file, 1ns.mdvel is my velocity
> information file. when i am running it with cpptraj it is giving following
> error:
>
> *Error: 'usevelocity' specified but no velocity info assocated with
> 30edo.prmtop*
> *Warning: Setup failed for [velocityautocorr 1ns.mdvel :WAT usevelocity out
> velocity_corr_wat tstep*
>
> please help me out to fix this problem
> thank you.
> *Atul Kuamr jaiswal*
> Research Scholar
> School of Computational and Integrative Sciences
> Centre for Computational Biology and Bioinformatics (CCBB)
> JNU,New Delhi
> India.
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Received on Sun May 15 2016 - 09:30:03 PDT
