On Mon, May 01, 2017, 张壮壮 wrote:
> These are all files I used in my calculate. And my original purpose is
> to get atom-atom interactions in RNA.
It doesn't look like the problem has anything to do with LEaP, but rather with
cpptraj. I'm replying with a new subject line, since the people that
understand cpptraj probably never read your post. I agree that your
question appears reasonable, but I've never used this option in cpptraj.
....dac
> zhangzhuangzhuang
> (lanzhou university)
>
> > -----Original Message-----
> > From: 张壮壮 [mailto:zhangzhzh16.lzu.edu.cn]
> > Sent: Wednesday, April 26, 2017 9:20 AM
> > To: amber.ambermd.org
> > Subject: [AMBER] consult about LEaP in amber
> >
> > Hello,
> > I use LEaP to calculate atom-atom interactions energy in RNA.The platform is: Amber14 + AmberTool16. the pdb file and tleap.in and result file are attached.
> > however.some atom-atom interactions are missed.like atom 197 with atom
> > 240 in the 1.eout. I want to konw is this a normal or I did some wrong
> > in some parameters?
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Received on Wed May 03 2017 - 19:00:03 PDT
