[AMBER] Problems with tleap when generating gib structures

From: Levan Tsereteli <Levan.Tsereteli.mpikg.mpg.de>
Date: Tue, 5 Jan 2016 11:36:32 +0000


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. For the systems less then 125 unit sequence everything is fine. However one unit more and segmentation error occurs. I am guessing I have to change something in the source of Ambertools and recompile it to allow higher number of unit sequence to be used to build the structure, however cant find right place were to do changes. I am attaching two tleap input files one for 100 units another for 200 units system build up. One that is smaller (100 units) works fine however bigger one with 200 units brakes with segmentation error. Only difference is size of the system (Sugar polymer ) that I want to build. Could you please give me a hint.

Thanks a lot in advance.


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Received on Tue Jan 05 2016 - 04:00:03 PST
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