Cpptraj doesn't measure SASA energy, just surface area. 'surf' uses LCPO
algorithm, 'molsurf' is the Connolly surface.
-Dan
On Wed, Aug 16, 2017 at 2:09 PM Mohammad Zahidul Hossain Khan <
za.parash.gmail.com> wrote:
> i can convert the file but I need the procedure of cpptraj for measuring
> the SASA energy
>
> On Fri, Aug 11, 2017 at 12:17 PM, Mohammad Zahidul Hossain Khan <
> za.parash.gmail.com> wrote:
>
> > Dear Sir
> >
> > I know but I need the link or tutorial for SASA energy. I am gromaces
> user
> > so I need to convert my files also
> >
> >
> > On Fri, Aug 11, 2017 at 12:06 PM, Elvis Martis <elvis.martis.bcp.edu.in>
> > wrote:
> >
> >> HI,
> >> you can use cpptraj, using the command "surf"
> >>
> >> Best Regards
> >> Elvis Martis
> >> Mumbai, INDIA.
> >>
> >> ________________________________________
> >> From: Mohammad Zahidul Hossain Khan <za.parash.gmail.com>
> >> Sent: 11 August 2017 22:47
> >> To: amber.ambermd.org
> >> Subject: [AMBER] SASA energy
> >>
> >> Does anyone know how to measure solvent accessible surface area energy
> >> using amber.
> >>
> >> --
> >>
> >>
> >> *Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
> >> *Email: khan5121.vandals.uidaho.edu <khan5121.vandals.uidaho.edu>*
> >> * Skype: parash.khan2*
> >> *Cell: +12085967165*
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> >
> > --
> >
> >
> > *Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
> > *Email: khan5121.vandals.uidaho.edu <khan5121.vandals.uidaho.edu>*
> > * Skype: parash.khan2*
> > *Cell: +12085967165 <(208)%20596-7165>*
> >
>
>
>
> --
>
>
> *Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
> *Email: khan5121.vandals.uidaho.edu <khan5121.vandals.uidaho.edu>*
> * Skype: parash.khan2*
> *Cell: +12085967165*
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Aug 16 2017 - 12:00:03 PDT
