From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed Jan 23 2013 - 11:29:57 CST
No idea.
If the mutator plugin breaks, it should be fixed. Send me off-list the files (if they aren't too big) and an exact description of what you tried that crashed it.
On Jan 23, 2013, at 12:21 PM, Thomas Albers wrote:
> Hello!
>
> On Wed, Jan 23, 2013 at 12:16 PM, JC Gumbart <gumbart_at_ks.uiuc.edu> wrote:
>> I have no idea what you're trying to do here, but it looks very non-standard. Try using the Mutator plugin in VMD on your original structure (with the FEP box checked) to produce the files you need.
>
> But it works. :-) The Mutator plugin actually has its own problems,
> when I was using it to mutate the glycine molecule that sits in the
> binding pocket the plugin always crashed.
>
> Anyway, I downloaded the NAMD-2.9-Linux-x86_64-ibverbs binary, and
> that one works fine on our cluster. The one that we compiled
> ourselves does not. Would you have any hunch what went wrong during
> compilation.
>
> Regards,
> Thomas
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