The reference is given in the Amber manual:
1.
Connolly, M. Analytical molecular surface calculation. J. Appl. Cryst.,
1983, 16, 548–558.
On Wed, Aug 16, 2017 at 2:41 PM Mohammad Zahidul Hossain Khan <
za.parash.gmail.com> wrote:
> Can you give me the link for molsurf that I can follow the procedure?
>
> On Wed, Aug 16, 2017 at 11:39 AM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
>
> > 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
> > _______________________________________________
> > 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*
> _______________________________________________
> 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 - 12:00:04 PDT
