Dear Jason,
my issue has been resolved.
thank you
and i also need your guidance for adding TIP3box ... what steps i should take ? have i first select forcefield after that load ligand.pdb file and then complex.pdb and protein.pdb files on xleap and then neutralize charges and after that add water ? please guide me for whole steps what should i have to do step by step . i'll be very thankful to you.
Regards
> Date: Thu, 3 Dec 2015 07:42:50 -0500
> From: jason.swails.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] xleap terminal terminate
>
> On Thu, Dec 3, 2015 at 7:33 AM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
> wrote:
>
> > Dear amber experts,
> > hope you all will be fine.
> > i am working on antechamber for generating prmtop files for ligand ,
> > complex and receptor.
> > i had already generated ligand and complex prmtop file but for receptor
> > when i want to save amberparam on xleap , xleap suddenly terminate and an
> > error shown on the terminal as segmentation fault.
> > any suggestion why it is happened every time only for receptor ?
> >
>
> ​Segmentation fault simply says that something went wrong, and it's an
> internal error inside tleap. It says nothing about *what* went wrong. As
> far as error messages go, "Segmentation fault" is one of the least helpful
> out there.
>
> So we would need more details -- specifically the leap commands or leap
> script you used in addition to the input files so we can try to reproduce
> it.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Fri Dec 04 2015 - 01:00:03 PST
