AMBER Archive (2008)

Subject: AMBER: constant ph (cpinutil file)

From: shubhra srivastava (shubhra_mbi_at_yahoo.co.in)
Date: Wed Aug 27 2008 - 01:46:36 CDT

--- On Thu, 14/8/08, shubhra srivastava <shubhra_mbi_at_yahoo.co.in> wrote:

> From: shubhra srivastava <shubhra_mbi_at_yahoo.co.in>
> Subject: constph
> To: amber_at_scripps.edu
> Date: Thursday, 14 August, 2008, 5:24 PM
> Hi!
> I just installed amber 9.
> I would like to use this new amber version to do constant
> pH simulation. I have succesfully generate parm and crd
> files following the instruction in the manual. But when I
> tried to run cpinutil.pl by the following command:
>
> ambpdb -p prmtop < prmcrd | cpinutil.pl > cpin
>
> I got the following error:
>
> | New format PARM file being parsed.
> | Version = 1.000 Date = 08/12/08 Time = 12:27:23
> Can't locate CPin.pm in @INC (@INC contains:
> /usr/lib64/perl5/site_perl/5.8.8/x86_64-linux-thread-multi
> /usr/lib64/perl5/site_perl/5.8.7/x86_64-linux-thread-multi
> /usr/lib64/perl5/site_perl/5.8.6/x86_64-linux-thread-multi
> /usr/lib64/perl5/site_perl/5.8.5/x86_64-linux-thread-multi
> /usr/lib/perl5/site_perl/5.8.8
> /usr/lib/perl5/site_perl/5.8.7
> /usr/lib/perl5/site_perl/5.8.6
> /usr/lib/perl5/site_perl/5.8.5 /usr/lib/perl5/site_perl
> /usr/lib64/perl5/vendor_perl/5.8.8/x86_64-linux-thread-multi
> /usr/lib64/perl5/vendor_perl/5.8.7/x86_64-linux-thread-multi
> /usr/lib64/perl5/vendor_perl/5.8.6/x86_64-linux-thread-multi
> /usr/lib64/perl5/vendor_perl/5.8.5/x86_64-linux-thread-multi
> /usr/lib/perl5/vendor_perl/5.8.8
> /usr/lib/perl5/vendor_perl/5.8.7
> /usr/lib/perl5/vendor_perl/5.8.6
> /usr/lib/perl5/vendor_perl/5.8.5 /usr/lib/perl5/vendor_perl
> /usr/lib64/perl5/5.8.8/x86_64-linux-thread-multi
> /usr/lib/perl5/5.8.8 . /usr/local/amber9/exe) at
> /usr/local/amber9/exe/cpinutil.pl
> line 9.
> BEGIN failed--compilation aborted at
> /usr/local/amber9/exe/cpinutil.pl line 9.
>
>
>
>
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