Re: [AMBER] problem with tleap and xleap

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 14 Jul 2010 11:22:32 -0400

Hello,

Try compiling amber tools 1.4 and use leap from that. I think the amber9 versions have 64-bit compatibility issues, and I don't know if they have been fixed with bug fixes or not. Version 1.4 should have all of the appropriate fixes.

Good luck!
Jason

--
Jason Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
On Jul 14, 2010, at 10:05 AM, moacyr comar <mcomjr.gmail.com> wrote:
> Dear Amber users.
> 
> I use Amber 9 installed on intel quad core with OS Linux Fedora 13. The
> program compilled well, but when I run the test.serial, there is a message
> like "problem with leap". So, I try run the tleap or xleap, again with no
> sucess. In these cases I receive the massage "Segmentation fault [core
> dumped]".
> 
> However, there are a weird thing. When a load the leaprc.gaff force field ,
> both tleap and xleap works fine, but with any other force field I have had
> the above message.
> 
> So, I don't have any idea what is going on in this case. I have tried a lot
> of thigs to fix it, but no sucess at all. If anyone can give me any hint, it
> will be very welcome!
> 
> Anyway, best regards to all!!!!!
> 
> -- 
> Prof. Dr. Moacyr Comar Junior
> Universidade Federal de São João del Rei
> Campus Centro-Oeste
> Divinópolis - MG
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Received on Wed Jul 14 2010 - 08:30:05 PDT
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