Hello,
I have been trying generate topology file for the lux protein, 1y6D-H.pdb.
The structure is a NMR structure taken from pdb, the first model is used
and the reduce program has been employed to add H atoms. The leap input
file is pasted below:
source leaprc.ff99SB
b= loadpdb 1y6D-H.pdb
saveamberparm b 1y6D-only.top 1y6D-only.crd
#savepdb b 1y6D-only-leap.pdb
quit
The topology file was not generated and the error message has been saved in
the file 1y6d-leap-error, attached with the mail along with the input pdb
structure. Any help would be useful.
Thanks in advance,
--
Devlina Chakravarty
JRF
Bose Institute
Kolkata
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Received on Thu Jan 05 2012 - 00:30:02 PST
