From: Bennion, Brian (bennion1_at_llnl.gov)
Date: Fri Apr 24 2015 - 14:02:59 CDT
paramchem.org use to give out the already updated mol2 in addition to the str (par/top) files. I am not sure why that functionality was removed.
This would be very helpful in the future (although the funding for paramchem has been altered/cut)
Brian
________________________________
From: Mayne, Christopher G [cmayne2_at_illinois.edu]
Sent: Friday, April 24, 2015 11:53 AM
To: Evandro Semighini
Cc: Bennion, Brian; namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: Re: Problems to parametrize molecules
Can we also have the ParamChem output as well?
Regards,
Christopher Mayne
On Apr 24, 2015, at 12:49 PM, Evandro Semighini wrote:
Hello Brian,
The molecule is attached to the e-mail, in mol2 format.
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