How to convert .top file and .crd file to gromacs input file using acpype?

S. Xavier @S_Xavier

01 January 2017 0 5K Report

$ /usr/local/acpype/acpype.py -p com_solvated.top -x com_solvated.crd -b complex -d

=================================================================================================

DEBUG: Python Version 2.7.12

Converting Amber input files to Gromacs ...

DEBUG: prmtop and inpcrd files loaded

ACPYPE FAILED: could not convert string to float: PRO

File "/usr/local/acpype/acpype.py", line 3537, in

is_sorted=options.sorted, chiral=options.chiral)

File "/usr/local/acpype/acpype.py", line 3239, in __init__

self.getResidueLabel()

File "/usr/local/acpype/acpype.py", line 1340, in getResidueLabel

residueLabel = self.getFlagData('RESIDUE_LABEL')

File "/usr/local/acpype/acpype.py", line 1311, in getFlagData

ndata = list(map(float, sdata))

The above error occured while converting. How to rectify it? Can someone help?

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