colvin wrote:
> Hi all,
>
> I am trying to convert charmm input files generated from CHARMM-GUI to amber
> prmtop and inpcrd.
> <get_atom_parameters> ERROR, topology file ends without finding all atom
> types,
> number found: 34 needed ntypes: 55
> At line 584 of file _psfprm.f
> Fortran runtime error: Bad value during floating point read
Hi Colvin,
Can you confirm if all the ATTYPE values in your PSF (6th column):
1 MEMB 1 DPPC N 40 -0.600000 14.0070 0
0.00000 -0.301140E-02
the value 40 here, have an associated ATTYPE value in the MASS section
in your RTF file:
MASS 1 HL 1.008000 H ! polar H (equivalent to protein H)
...snip....
MASS 40 NTL 14.007000 N ! ammonium nitrogen
Regards,
Mark
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Received on Thu Feb 24 2011 - 11:30:06 PST
