No it did not work. When I am generating 123 units its all ok. If I am adding just one unit more everything breaks.
with the following error. Have no idea what to do next. Any help will be appreciated.
Monovalent ion parameters for Ewald and TIP3P water from Joung & Cheatham JPCB (2008)
ERROR: syntax error
ERROR: syntax error
ERROR: syntax error
ERROR: syntax error
ERROR: syntax error
ERROR: syntax error
ERROR: syntax error
________________________________________
From: David A Case [david.case.rutgers.edu]
Sent: 05 January 2016 14:25
To: AMBER Mailing List
Subject: Re: [AMBER] Problems with tleap when generating gib structures
On Tue, Jan 05, 2016, Levan Tsereteli wrote:
>
> I am facing very strange problem when using tleap. Just want to generate
> .crd, mol2 and prmtop with tleap but whenever system that I want to
> build is bigger then 125 units its giving me segmentation error.
What happens if you leave out the "saveMol2" parameter? Amber's mol2 support
is mainly for single residues, and there may be problems with mulitple-residue
mol2 processing. Or, there may be limits on the sequence command.
Generally, it would be great to know *when* the segfault is happening.
What happens if you add a savePdb command (and nothing else) right after
the sequence command? Do you get a reasonable PDB file?
....dac
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Received on Tue Jan 05 2016 - 09:00:03 PST
