Thank you very much, Ben!
I have done as you suggested and now everything is working just fine.
Best regards,
Marina
Citiram Ben Roberts <ben.roberts.geek.nz>:
> 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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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Marina Grabar Branilovic, PhD Student
Institute Rudjer Boskovic
Bijenicka 54
HR-10000, Zagreb
CROATIA
tel +385-1-4561025
fax +385-1-4680245
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Received on Mon Jan 16 2012 - 03:30:02 PST
