[gmx-users] x2top taking too long

Justin A. Lemkul jalemkul at vt.edu
Fri May 8 14:12:30 CEST 2009

Is this version 4.0.4?  I get the same thing under the newest version.  I think 
x2top fluctuates in terms of its level of usability, since it is in an ongoing 
state of development.  Older versions (i.e., 3.3.3) should work, at least in 
terms of generating a basic topology.


Alan wrote:
> Hi there,
> So I decided to give a try with x2top.
> x2top -f aaa.gro -o aaa.top
> However, the program starts and seems to never finishing holding as:
> [snip]
> There are 23 name to type translations
> Generating bonds from distances...
> atom 0
> And 'atom 0' stays there while I clearly see my cpu running with x2top.
> Mac intel with GMX via Fink.
> Many thanks in advance.
> Alan


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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