I have included here my ptraj script:
trajin MD_prod1.mdcrd 1 2500 5
trajin MD_prod2.mdcrd 1 2500 5
trajin MD_prod3.mdcrd 1 2500 5
trajin MD_prod4.mdcrd 1 2500 5
strip :WAT outprefix strip
center origin :MET
image origin center familiar
trajout 2foldposionized.mdcrd
go
It produces the file 2foldposionized.mdcrd, but fails to produce the strip.prmtop file.
I do not think that my usage is incorrect, but it might be.
Is there something wrong with my script?
Thanks in advance,
-Hunter
Hunter Brown
Bassoonist, Contrabassoonist, Composer, Chemical Engineering Major
University of New Mexico
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 23 2013 - 14:00:02 PDT