Dear all,
I am a beginner of this amber field. I have installed amber16. I want to
convert my charmm force field to amber format by the chamber module which
is incorporated into the parmed, but unable to do. The error is as follows:
###################################################################
ParmEd: a Parameter file Editor
Reading input from STDIN...
> chamber -top top_all22_prot.rtf -param par_all22_prot.prm -str
toppar_water_ions.str -psf A.psf -crd A.pdb
Creating chamber topology file from PSF A.psf, RTF files
[top_all22_prot.rtf], PAR files [par_all22_prot.prm], and STR files
[toppar_water_ions.str]. Coords from A.pdb. Using CMAP. GB Radius set
mbondi.
Unexpected failure:
TypeError: 'str' object does not support item assignment
Traceback is
File
"/data/apps/amber16/lib/python2.7/site-packages/parmed/tools/parmed_cmd.py",
line 159, in _normaldo
action.execute()
File
"/data/apps/amber16/lib/python2.7/site-packages/parmed/tools/actions.py",
line 3883, in execute
parmset.read_parameter_file(pfile)
File
"/data/apps/amber16/lib/python2.7/site-packages/parmed/charmm/parameters.py",
line 415, in read_parameter_file
elem = elem.lower(); elem[0] = elem[0].upper()
#########################################################################
Help me to get rid of this problem.
Any comments/suggestions will be appreciated.
Thanks,
Suzan
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Received on Tue Jul 24 2018 - 21:30:02 PDT
