Re: [AMBER] Glycam_06 in amber12

From: Lachele Foley (Lists) <"Lachele>
Date: Sat, 12 Jan 2013 13:48:58 -0500

Urszula was correct, but if you need a more complete approach, you can use:

source leaprc.GLYCAM_06h

If curious, you can see the contents of $AMBERHOME/dat/leap/cmd for
the available leaprc files.


On Fri, Jan 11, 2013 at 11:32 PM, Subrata Paul <paul.subrata34.gmail.com> wrote:
> Thanks
>
> But, we want to use ff99SB and GLYCAM_06.
> So, How we load GLYCAM_06 in amber12 ?
>
> On Fri, Jan 11, 2013 at 8:38 PM, Lachele Foley (Lists) <lf.list.gmail.com>wrote:
>
>> We started versioning our releases to facilitate reproducibility.
>>
>> If you are simulating certain glycoproteins or want to use ff12SB, you
>> might need even more recent parameters. Get those files from
>> glycam.org/params
>>
>>
>> On Fri, Jan 11, 2013 at 5:27 AM, Urszula Uciechowska
>> <urszula.uciechowska.chem.umu.se> wrote:
>> > In Amber12 you have glycam_06h
>> > you can load it in leap by typing:
>> > params = lodamberparams GLYCAM_06h.dat
>> >
>> > /Urszula
>> >
>> > Urszula Uciechowska, Ph.D.
>> > Department of Chemistry
>> > Umeå University
>> > SE-901 87 Umeå, Sweden
>> > urszula.uciechowska.chem.umu.se
>> > ________________________________________
>> > Von: Subrata Paul [paul.subrata34.gmail.com]
>> > Gesendet: Freitag, 11. Januar 2013 11:03
>> > An: AMBER Mailing List
>> > Betreff: [AMBER] Glycam_06 in amber12
>> >
>> > Dear Amber User,
>> >
>> > Can we use GLYCAM_06 force field in amber12 ?
>> > If possible, How ?
>> > --
>> > *With Best Regards
>> > Subrata
>> > PhD Student
>> > Dept of Chemistry.
>> > IIT G
>> > *
>> > _______________________________________________
>> > 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
>>
>>
>>
>> --
>> :-) Lachele
>> Lachele Foley
>> CCRC/UGA
>> Athens, GA USA
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> *With Best Regards
> Subrata
> PhD Student
> Dept of Chemistry.
> IIT G
> *
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 12 2013 - 11:00:02 PST
Custom Search