Re: [AMBER] SASA calculation

From: Elvis Martis <elvis.martis.bcp.edu.in>
Date: Fri, 9 Jun 2017 07:04:07 +0000

Can you also send the .dat file?



                   Best Regards

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


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________________________________
From: Garima Singh <garimabioinfo.gmail.com>
Sent: 09 June 2017 11:10:05
To: amber.ambermd.org
Subject: [AMBER] SASA calculation

Dear Amber users,

              I am using cpptraj for trajectory analysis. when calculating
SASA found this type of plot.
         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 Fri Jun 09 2017 - 00:30:02 PDT