Hi all,
I am trying to convert charmm input files generated from CHARMM-GUI to amber
prmtop and inpcrd.
as suggested in the manual, i used the command:
$AMBERHOME/bin/chamber -cmap -top top_all22_prot_36lipid.inp -param
par_all22_prot_36lipid.inp -psf step5.psf -crd .crd -p chamber.prmtop
-inpcrd chamber.inpcrd
It gave this as output:
<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
I then tried with others prm and top files from charmm such as
par_all27_prot_lipid.prm and top_all27_prot_lipid.rtf, and it gave this:
<get_atom_parameters> ERROR, topology file ends without finding all atom
types,
number found: 38 needed ntypes: 55
<get_bonded_params> ERROR end of file in param file B
Obviously, the inpcrd and prmtop files could not be written. Any input or
solutions are appreciated. Pls assist.
Thank you very much!
Regards,
Colvin
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Received on Thu Feb 24 2011 - 04:30:10 PST
