[gmx-users] amber2xtc.py error
Albert
mailmd2011 at gmail.com
Mon May 28 09:05:21 CEST 2012
hello:
I am trying to use amber2xtc.py script to convert Amber MD system
into gromacs format by command:
python amber2xtc.py npt3.mdcrd apo.prmtop . *.rst md_gromacs
however, I got the following messages
--------------log--------------------
USAGE : python amber2xtc.py AMBERCRD AMBERTOP TRAJDIR TRAJPATTERN
OUTPUTPREFIX
Example : python amber2xtc.py mdcrd.crd mdcrd.top md *.x.gz
md_gromacs
Note that the AmberCrd can also be a PDB file.
Will convert the following files :
['m1.rst']
currently converting m1.rst
ls: cannot access *.pdb.*: No such file or directory
--------------------------------------
I am wondering how to fix this problem?
thank you very much
A.
More information about the gromacs.org_gmx-users
mailing list