AMBER Archive (2007)

Subject: Re: AMBER: ambpdb gives empty cpin

From: tri nam Vo (mouseelephant2002_at_yahoo.com)
Date: Tue May 22 2007 - 09:01:42 CDT

Maybe you can check the prmcrd and prmtop file. Is it have titration site such as GL4, AS4, TYR, HIP,...?
dac
bhu <achuthpnr_at_yahoo.co.in> wrote: 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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