Hi Marina,
On 13/01/2012, at 8:30 AM, Marina Grabar Branilović wrote:
> I was using tleap and xleap without any problem (as part of Amber 10
> Tools). And now suddenly when I tray to run tleap or xleap, after
> including ff99SB or ff03, they just crush down.
> So, I can open them, load gaff, and after typing "source
> leaprc.ff99SB" I get this:
> Loading parameters: /usr/local/amber10/dat/leap/parm/parm99.dat
> Reading title:
> PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP
> incl.02/04/99
> Loading parameters: /usr/local/amber10/dat/leap/parm/frcmod.ff99SB
> Reading force field modification type file (frcmod)
> Reading title:
> Modification/update of parm99.dat (Hornak & Simmerling)
> Loading library: /usr/local/amber10/dat/leap/lib/all_nucleic94.lib
> Segmentation fault
> ...And tleap (or xleap) just turn off.
There is a new version of AmberTools, 1.5, in which many memory-related and other problems have been fixed. We suggest you upgrade to this version. You may upgrade to AmberTools 1.5 without needing to upgrading Amber.
If, having upgraded, you still have problems, we will need more information from you, including but not limited to the platform and operating system you are using, and the compilers you used to build the Amber package.
Regards,
Ben Roberts
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Received on Fri Jan 13 2012 - 06:00:09 PST
