Dear Amber User
I am facing this error. Please help me in resolving this issue.
Error: Could not get reference with name MyAverage
Error: Could not initialize action [rms]
1 errors encountered reading input.
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parm wet.complex.prmtop
trajin md.mdcrd
trajin md1.mdcrd
rms first :1-194&!.H=
average crdset MyAverage
run
rms ref MyAverage :1-194&!.H=
matrix covar name l-covar :1-194&!.H=
diagmatrix l-covar name l-modes out l-evecs.dat vecs 3 \
nmwiz nmwizvecs 3 nmwizfile l.nmd nmwizmask :1-194&!.H=
run
rms ref MyAverage :1-194&!.H=
projection LIGAND-DIMER evecs l-modes beg 1 end 3 :1-194&!.H=
run
hist LIGAND-DIMER:1 bins 300 out lig-hist.agr norm name lig-1
hist LIGAND-DIMER:2 bins 300 out lig-hist.agr norm name lig-2
hist LIGAND-DIMER:3 bins 300 out lig-hist.agr norm name lig-3
run
##############
clear all
readdata l-evecs.dat name Evecs
parm wet.complex.prmtop
parmstrip !(:1-194&!.H=)
parmwrite out lig-modes.prmtop
runanalysis modes name Evecs trajout lig-final.nc \
pcmin -300 pcmax 300 tmode 1 trajoutmask :1-194&!.H= trajoutfmt netcd
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Regards
Rehan
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Received on Tue Apr 14 2020 - 11:30:02 PDT
