Re: [AMBER] Fwd: SASA calculation

From: Elvis Martis <elvis.martis.bcp.edu.in>
Date: Mon, 12 Jun 2017 07:17:05 +0000

Hi,

The vertical lines are those frames where the SASA values are zero.

You need to identify those frames.



                   Best Regards

[photo]



Elvis Martis
Ph.D. Student (Computational Chemistry)
 at Bombay College of Pharmacy


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________________________________
From: Garima Singh <garimabioinfo.gmail.com>
Sent: 12 June 2017 12:37:13
To: amber.ambermd.org
Subject: [AMBER] Fwd: SASA calculation

---------- Forwarded message ----------
From: Garima Singh <garimabioinfo.gmail.com>
Date: Fri, Jun 9, 2017 at 11:10 AM
Subject: SASA calculation
To: amber.ambermd.org


Dear Martis,

             when calculating SASA found this type of plot. .dat file is
attached here.
         I can't understand why vertical lines is present in plot? see the
plot how to solve this issue?
           command use for calculation is
                  molsurf :1-81 out sasa.dat time 0.002 Probe



*Thank You and Best Wishes*

--
*Regards*
Garima Singh
AcSIR-PhD Fellow
Biotechnology Division
C/o Dr. Ashok Sharma (Chief Scientist and Head Biotechnology Division)
Central Institute Of Medicinal And Aromatic Plant
CSIR-CIMAP
Lucknow
garimabioinfo.gmail.com
*INDIA* Please don't print this e-mail unless you really need to. Be Green !
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Received on Mon Jun 12 2017 - 00:30:03 PDT