Dear amber users,
When I tried to use MCPB.py to generate the parameters for ZN, the erroe occurred in the step of
MCPB.py -i mp.in -s 2s
==================Using the Seminario method to solve the problem.
Traceback (most recent call last):
File "/home/jxf/install/amber14/bin/MCPB.py", line 443, in <module>
g0x)
File "/home/jxf/install/amber14/lib/python2.7/site-packages/mcpb/gene_final_frcmod_file.py", line 306, in gene_by_QM_fitting_sem
'Int Atom Types')
File "/home/jxf/install/amber14/lib/python2.7/site-packages/pymsmtmol/gauio.py", line 47, in get_crds_from_fchk
crds.append(float(j))
ValueError: could not convert string to float: Force
how can I fixed this error?
Thanks!
Sincerely yours,
Xiaofeng Ji
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Received on Sun Apr 17 2016 - 20:00:04 PDT
