Same input works for me. What version of cpptraj are you using (what
does cpptraj --version say)? Are you getting any error messages or
warnings? Can you post your entire output?
-Dan
On Tue, Aug 27, 2019 at 11:39 AM Shirin Jamshidi
<shirinjamshidi.gmail.com> wrote:
>
> Dear AMBER developers,
>
>
>
> I used to apply dccm script at the below in AMBER 16 and everything was
> fine till this week that I tried it for another job but there is no
> evec.pev in the list of output file. Just was wondering if I need change
> the code according your updates to get the evec.pev file as well. (I have
> tried the script without “analyse” code at the beginning and also “covar”
> instead of “mcovar” but either way even the command does not run and it
> sends error)
>
>
>
> Thanks for your time.
>
>
>
> Best,
>
> Shirin
>
>
>
>
>
> dccm.in script:
>
> trajin ../../../Protein_md3.mdcrd
>
>
>
> rms first mass out rmsfirstmass.txt :1-387.CA,N1
>
> atomicfluct out fluctCAN1.txt @CA,N1
>
>
>
> #ED and DCCM
>
> matrix correl name dccm @CA,N1 out matrix.dccm
>
> matrix covar name mcovar @CA,N1 out matrix.covar
>
> matrix dist name dis @CA,N1 out matrix.dist
>
> analyze matrix mcovar out evec.pev vecs 9608
>
>
>
> command:
>
> cpptraj -p protein.prmtop -i dccm.in > dccm.out &
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Received on Tue Aug 27 2019 - 11:00:01 PDT
