Out of curiosity, what version of Gromacs are you using? Did you
compile it from source? If so, which compiler versions (most
importantly, gcc)?
I had a problem with a broken Ubuntu package (GMX 3.3.1) that gave
similar strange behavior. It's a long-shot, but a broken installation
can result in weird behavior.
If you'd like, I'd be willing to take a look into it myself, if you'd
like to send me your .pdb file off-list. It might be faster for
diagnosing the problem.
-Justin
rams rams wrote:
Hi
I am very new to Gromacs and I am really really running into problems
while
setting up the input file for insulin simulations. Are there any
one who had
bit experience in handling insulin (both the chains) ?
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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