---------- Forwarded message ----------
From: Harmeet Kaur <meet.academia.gmail.com>
Date: Wed, Jul 2, 2014 at 12:05 PM
Subject: error: unable to generate parameter file
To: amber.ambermd.org
Hi
I have encountered the following error while running tleap on the structure
with PDB Id 1A2Y. Kindly suggest how to overcome this error.Thanks in
advance
Building topology.
Building atom parameters.
Building bond parameters.
Could not find bond parameter for: SH - SH
Could not find bond parameter for: SH - SH
Could not find bond parameter for: SH - SH
Could not find bond parameter for: SH - SH
Could not find bond parameter for: SH - SH
Could not find bond parameter for: SH - SH
Building angle parameters.
Could not find angle parameter: HS - SH - SH
Could not find angle parameter: SH - SH - CT
Could not find angle parameter: SH - SH - HS
Could not find angle parameter: CT - SH - SH
Could not find angle parameter: HS - SH - SH
Could not find angle parameter: SH - SH - CT
Could not find angle parameter: SH - SH - HS
Could not find angle parameter: CT - SH - SH
Could not find angle parameter: HS - SH - SH
Could not find angle parameter: SH - SH - CT
Could not find angle parameter: SH - SH - HS
Could not find angle parameter: CT - SH - SH
Could not find angle parameter: HS - SH - SH
Could not find angle parameter: SH - SH - CT
Could not find angle parameter: SH - SH - HS
Could not find angle parameter: CT - SH - SH
Could not find angle parameter: HS - SH - SH
Could not find angle parameter: SH - SH - CT
Could not find angle parameter: SH - SH - HS
Could not find angle parameter: CT - SH - SH
Could not find angle parameter: HS - SH - SH
Could not find angle parameter: SH - SH - CT
Could not find angle parameter: SH - SH - HS
Could not find angle parameter: CT - SH - SH
Building proper torsion parameters.
** No torsion terms for HS-SH-SH-CT
** No torsion terms for HS-SH-SH-HS
** No torsion terms for CT-SH-SH-CT
** No torsion terms for CT-SH-SH-HS
** No torsion terms for HS-SH-SH-CT
** No torsion terms for HS-SH-SH-HS
** No torsion terms for CT-SH-SH-CT
** No torsion terms for CT-SH-SH-HS
** No torsion terms for HS-SH-SH-CT
** No torsion terms for HS-SH-SH-HS
** No torsion terms for CT-SH-SH-CT
** No torsion terms for CT-SH-SH-HS
** No torsion terms for HS-SH-SH-CT
** No torsion terms for HS-SH-SH-HS
** No torsion terms for CT-SH-SH-CT
** No torsion terms for CT-SH-SH-HS
** No torsion terms for HS-SH-SH-CT
** No torsion terms for HS-SH-SH-HS
** No torsion terms for CT-SH-SH-CT
** No torsion terms for CT-SH-SH-HS
** No torsion terms for HS-SH-SH-CT
** No torsion terms for HS-SH-SH-HS
** No torsion terms for CT-SH-SH-CT
** No torsion terms for CT-SH-SH-HS
Building improper torsion parameters.
total 1135 improper torsions applied
Building H-Bond parameters.
Parameter file was not saved.
--
Regards
Harmeet Kaur
PhD Research Scholar
UNESCO Regional Centre for Biotechnology
180 Udyog Vihar Phase 1
Gurgaon-122016, India.
Phone: +91-0124-2848800
--
Regards
Harmeet Kaur
PhD Research Scholar
UNESCO Regional Centre for Biotechnology
180 Udyog Vihar Phase 1
Gurgaon-122016, India.
Phone: +91-0124-2848800
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Received on Wed Jul 02 2014 - 00:30:02 PDT
