[AMBER] Fwd: SQM Error

From: Mitul Srivastava <mitul.thsti.res.in>
Date: Wed, 22 Feb 2017 12:23:01 +0530

---------- Forwarded message ----------
From: <amber-owner.ambermd.org>
Date: Wed, Feb 22, 2017 at 12:03 PM
Subject: SQM Error
To: mitul.thsti.res.in


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---------- Forwarded message ----------
From: Mitul Srivastava <mitul.thsti.res.in>
To: amber.ambermd.org
Cc:
Date: Wed, 22 Feb 2017 12:03:04 +0530
Subject: SQM Error
Hello Amber Users,
                             i am doing protein-ligand complex study and I
am facing a very unique error where the error is showing while running
ANTECHAMBER on Amber16. The error is -- I have used two proteins with same
ligand. In attached file "lig.pdb" of one complex is running fine while
"lig_new.pdb" is not running and is showing the sqm error. though both the
ligands are same and I am surprised why this error is coming.

please help me as I am not able to troubleshoot.

thank you

-- 
*Mitul SrivastavaSenior Research FellowD*rug *D*iscovery *R*esearch *C*enter
(DDRC)
*T*ranslational *H*ealth *S*cience and *T*echnology *I*nstitute (THSTI),
NCR Biotech Science Cluster
3rd Milestone, Faridabad – Gurgaon Expressway
PO box #04, Faridabad – 121001, India
-- 
*Mitul SrivastavaSenior Research FellowD*rug *D*iscovery *R*esearch *C*enter
(DDRC)
*T*ranslational *H*ealth *S*cience and *T*echnology *I*nstitute (THSTI),
NCR Biotech Science Cluster
3rd Milestone, Faridabad – Gurgaon Expressway
PO box #04, Faridabad – 121001, India




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Received on Tue Feb 21 2017 - 23:00:02 PST
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