Hi Manish (and Hashem),
On 3/5/2011, at 5:13 p.m., Manish wrote:
> Thanks for your suggestions, there was some progress when I copied the
> standard residues. But now I'm getting following error:
>
> <snip>
In addition to the problem with the proper residue templates, protonation and other parts of MTK++ are known to have bugs in them, that sometimes manifest as infinite loops (like the 60-hour wait you described). I haven't heard of this more recent problem. Could you please send your revised BCL file too, and I (and/or other MTK++ developers) will take a look at it and get back to you.
Regards,
Ben
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Received on Tue May 03 2011 - 14:30:05 PDT
