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Re: [lammps-users] Conversion of charmm format to xplor format.
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Re: [lammps-users] Conversion of charmm format to xplor format.


From: Giacomo Fiorin <giacomo.fiorin@...24...>
Date: Fri, 15 Sep 2017 15:34:17 -0400

In this case, please read the PSFGen and VMD documentation.

On Fri, Sep 15, 2017 at 1:46 AM, R. Varsha <varsharani.0909@...24...> wrote:
Dear Giacomo,

I created that psf file in vmd not in CHARMM. Then how this program will convert the format itself.
I have attached snapshot of the problem.

On Thu, Sep 14, 2017 at 8:06 PM, Giacomo Fiorin <giacomo.fiorin@...24...> wrote:
CHARMM (the program) can do the conversion.  If you have generated the system with it, you should be able to do the conversion.

I paste here the useful link for future use by those few who search the list archives:
https://www.charmm.org/ubbthreads/

On Thu, Sep 14, 2017 at 10:06 AM, Stefan Paquay <stefanpaquay@...12...24...> wrote:
I think neither charmm nor xplor are directly related to lammps, so while you might get lucky and someone on this list knows, it might make more sense to ask around on more charmm or xplor oriented mailing lists, or just googling it.

On Sep 14, 2017 7:19 AM, "R. Varsha" <varsharani.0909@...24...> wrote:
Hello everyone,

I want to change my psf file format which is in CHARMM format. I need to convert it in XPLOR format. How can I do this conversion.?


Thanks


Regards
Varsha

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--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
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--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD