HI,
Once you have installed AMBER.
type the following in your terminal
source $AMBERHOME/amber.sh
or
source $AMBERHOME/amber.csh
and then type
xleap
Best Regards
Elvis Martis
Mumbai, INDIA.
________________________________________
From: Charu Sharma (JRF) <charu.sharma.lnmiit.ac.in>
Sent: 10 October 2018 16:31
To: amber.ambermd.org
Subject: Re: [AMBER] Regarding Leap
Hello sir,
I want to know how to run the command of xleap in ubuntu while working in
linux.
On Tue, Oct 9, 2018 at 11:13 AM Elvis Martis <elvis.martis.bcp.edu.in>
wrote:
> Hi Charu/Karishma,
> It is highly recommended that you read the AMBER manual (
> http://ambermd.org/doc12/Amber18.pdf), and also, visit the amberMD web
> page (http://ambermd.org/FileFormats.php) that has all your answers.
> Here, you will find information on FF14SB (
> http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00255)
> Leaprc.ff14SB is the file to source Amber14 force field parameters.
> FYI, from AMBER16 onwards this is "leaprc.protein.ff14SB"
>
> Hope this helps
>
> Best Regards
> Elvis Martis
> Mumbai, INDIA.
>
> ________________________________________
> From: Charu Sharma (JRF) <charu.sharma.lnmiit.ac.in>
> Sent: 09 October 2018 10:03
> To: amber-subscribe.ambermd.org; Dr. Ashok Garai; AMBER.ambermd.org
> Subject: [AMBER] Regarding Leap
>
> Hello everyone,
> This is karishma , i want to know basic difference between AMBER topology
> file extension, coordinates file extension as well as about Leaparc.ff14SB.
>
> Thanking you,
>
>
> Regards
>
> karishma Sharma
> _______________________________________________
> 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
>
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Received on Wed Oct 10 2018 - 08:30:03 PDT
