I am using free version of CHARMM, which I downloaded one week ago. In my system I have around 70K atoms, but I am using implicit solvation model GBSW.
I compiled CHARMM with ./install.com gnu xxlarge x86_64.
When I test each protein chain or nucleic acid chain separately, I am able to reach the stage when I would do dynamics. However, when I use entire system, it fails after he reads some of the GBSW radii parameters.
The error I get is related to SIGSEGV segmentation fault - invalid memory reference.
I was wondering what does usually cause this errors?
Obviously, I can attach my input and output, but I have many files, so if you could just give me your insights without it I would appreciate it.
I was wondering if GBSW was configured to this size of the system in the free version?
Edited by pmj (01/24/19 09:15 AM)