RE: AMBER: modified leaprc for glycoproteins

From: Irene Newhouse <>
Date: Fri, 31 Aug 2007 15:14:32 -1000

Since I'm just starting out, I didn't realize you could that.
Thank you very much!
Irene> Date: Fri, 31 Aug 2007 14:42:03 -0700> From:> To:> Subject: Re: AMBER: modified leaprc for glycoproteins> > On Fri, Aug 31, 2007, Irene Newhouse wrote:> > > > The system I'm trying to simulate contains both glycans and protein. None of> > the supplied leaprc files manage to do both. [OK, I didn't try them all, but> > I did try the ones that seemed obviously named to me]. So I tried to create> > my own, by combining leaprc.glycam04 and leaprc.ff99SB. That doesn't work> > either - it loads the protein file, but not the glycam04 file. > > Exactly how did you "combine" them? You should be able to type the following> in leap:> > source leaprc.ff99SB> source leaprc.glycam04> > That gets all of the files loaded; there may be other problems down the road.> You might want to check out the glycoprotein configuration tool at> -- that could be what you need, or could give to hints about how> to proceed.> > ....dac> > -----------------------------------------------------------------------> The AMBER Mail Reflector> To post, send mail to> To unsubscribe, send "unsubscribe amber" to
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Received on Sun Sep 02 2007 - 06:07:39 PDT
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