[AMBER] Generating cpin file for constant pH in Amber9

From: Jamie Romnes <jromnes.student.physics.ucdavis.edu>
Date: Wed, 3 Mar 2010 11:11:41 -0800 (PST)

Hello,

In attempting my first constant ph AMBER9 experiment, I've hit a snag in
generating the necessary cpin file. It appears there may be an issue with
cpnutil.pl?
Here's my output:

$ ambpdb -p Model.prmtop < Model.inpcrd | cpinutil.pl > cpin
| New format PARM file being parsed.
| Version = 1.000 Date = 02/18/10 Time = 14:50:45

lib-4001 : UNRECOVERABLE library error
  A READ operation tried to read past the end-of-file.

Encountered during a sequential formatted READ from unit 5
Fortran unit 5 is connected to a sequential formatted text file
  (standard input).
 Current format: 30 FORMAT(20A4)
                            ^
Use of uninitialized value in ord at
/share/apps/amber-9/pathscale/exe/cpinutil.pl line 29.
Use of uninitialized value in pattern match (m//) at
/share/apps/amber-9/pathscale/exe/cpinutil.pl line 31.
Use of uninitialized value in string eq at
/share/apps/amber-9/pathscale/exe/cpinutil.pl line 31.
Use of uninitialized value in string eq at
/share/apps/amber-9/pathscale/exe/cpinutil.pl line 31.
Use of uninitialized value in array dereference at
/share/apps/amber-9/pathscale/exe/CPin.pm line 131, <GEN0> line 1.
Use of uninitialized value in numeric lt (<) at
/share/apps/amber-9/pathscale/exe/cpinutil.pl line 68, <GEN0> line 1.
Use of uninitialized value in array dereference at
/share/apps/amber-9/pathscale/exe/CPin.pm line 131, <GEN0> line 1.
Use of uninitialized value in numeric lt (<) at
/share/apps/amber-9/pathscale/exe/CPin.pm line 57, <GEN0> line 1.
Use of uninitialized value in length at
/share/apps/amber-9/pathscale/exe/CPin.pm line 512, <GEN0> line 1.
Use of uninitialized value in concatenation (.) or string at
/share/apps/amber-9/pathscale/exe/CPin.pm line 518, <GEN0> line 1.

Thank you in advance for any help!!!
Jamie Romnes


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Received on Wed Mar 03 2010 - 11:30:03 PST
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