Hi All,
The command line that I use to generate .prmtop and inpcrd is
/home/software/AMBER14/amber14/bin/chamber -top ../top_all27_na.inp -top
../top_all22_prot_cmap.inp -param ../par_all27_na.prm -param
../par_all22_prot_cmap.inp -xpsf ../KH4_wat_ion.psf -crd ../KH4_wat_ion.pdb
-p 3jzb_test.prmtop -inpcrd 3jzb_test.inpcrd -cmap
However, it gives the following error
<get_atom_parameters>ERROR atom with mass >1 has type alreadydesignated as
non-hydrogen type
<get_atom_parameters> atom 1131 15.999400000000000 O5'
Cannot continue
Please advise me for resolving the issue.
Any help will be appreciated
Thanks
sudipta
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Apr 25 2015 - 11:30:02 PDT
