AMBER Archive (2007)

Subject: AMBER: tleap crashing

From: Ranjib Dey (d.ranjib_at_gmail.com)
Date: Tue Dec 11 2007 - 13:12:20 CST

Hi all,
  I trying to simulate a carbohydrate-protein complex using glycam06/ff94
but , while saving *.prmtop and *.inpcrd files, tleap shows FATAL error and
crashes, although "loadpdb" and "check" is not throwing any error.
I am attaching the error message as well as the pdb file.

Thanks in advance.
regards
ranjib

Error:

> saveamberparm complex complex.prmtop complex.inpcrd
Checking Unit.
WARNING: The unperturbed charge of the unit: 8.000000 is not zero.

 -- ignoring the warning.

Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
!FATAL ERROR----------------------------------------
!FATAL: In file [unitio.c], line 1767
!FATAL: Message: 1-4: cannot add bond 99 1914
!
!ABORTING.


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu