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 - 09:00:03 PDT
