On Wed, Feb 20, 2013, Theodosia Teo wrote:
> Thanks for the comment. Just a quick question, how to checkoverlap after
> energy minimisation, as that time I would only have mdcrd, output and rst
> files. So how can I convert rst to inpcrd?
No conversion is needed. "rst" is the same as "inpcrd", and ptraj can read
all kinds of input formats.
...dac
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Received on Wed Feb 20 2013 - 05:00:04 PST
