hello:
I would like to convert equilirated lipids into gromacs system so
that I can use gromacs tools to embed my protein into membrane. I am
converting with amber2xtc.py file by command:
python amber2xtc.py npt3.mdcrd apo.prmtop . npt3.rst md_gromacs
it failed with 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 :
['npt3.rst']
currently converting npt3.rst
ls: cannot access *.pdb.*: No such file or directory
----------------l------------------
Does anybody have any advices?
thank you very much
best
Albert
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Received on Wed May 23 2012 - 01:00:03 PDT
