Hello:
I've built a MD system from CHARMM-GUI and I would like to convert
it to Amber system by chamber. Since there are many topologies involved
for this system, and I am trying to run chamber by command:
chamber -cmap -top toppar/*.top -param *.prm -psf
step5_assembly.xplor_ext.psf -crd step5_assembly.pdb -p amber.prmtop
-inpcrd amber.inpcrd -box 90 90 120
but chamber said:
Error unknown flag: par_all22_prot.prm
probably my syntax is not correct and chamber don't know how to deal
with multiple topology and parameter files? Does any body have any
suggestions?
thank you very much
best
Albert
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Received on Tue Apr 03 2012 - 13:30:03 PDT
