Dear Sir,
I am usig amber9 and want to do some constant ph
calculations with some polymer molecules. i tried to
create the cpin files as described in the manual using
ambpdb
>>ambpdb -p prmtop < prmcrd | cpinutil.pl > cpin
but i ended up with an empty file also no error
messages are displayed.
the molecule contains no aminoacid residues. the whole
chain is considered to be asingle residue <1>. also it
contains amide bonds.
please help
thank You.
Achu
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Received on Wed May 23 2007 - 06:07:14 PDT
