Messages

1

MD simulations / Re: Using find_pair

« on: September 18, 2012, 11:08:34 pm »

Hi Xiang-Jun

Ok... The version I'm using is v2.1beta. I'm not exactly sure of the Linux variant, that only think I'm sure is Ubuntu :-/
The output of "uname -a" is

Linux ares 2.6.32-41-generic #91-Ubuntu SMP Wed Jun 13 11:44:43 UTC 2012 i686 GNU/Linux

I'm using "find_pair" to create the input files for "x3dna_ensemble".
In my mac I used this command to create the input files without a problem and in less than a second (that's what I mean with it ran easily). But I tried to do the same in my Linux computer, and the error message appeared.

Johnny

2

MD simulations / Using find_pair

« on: September 18, 2012, 07:39:13 pm »

Hello,

I've installed X3DNA in my Linux Ubuntu machine (the 32-bits version) and I tried to run one MD trajectory on pdb with find_pair, but I received this error message:
open_file <filename.pdb> failed: Value too large for defined data type.

I know the pdb is huge (more than 2 GB), but I could run it easily on my Mac.
Also, I tried to installed the 64-bits version (thinking that would fix it), but when I tried to compile it, I kept saying that the binary was not compatible.

What should I do?

Thanks, 

Johnny