RE: Re: Problems to parametrize molecules

From: Bennion, Brian (
Date: Fri Apr 24 2015 - 14:02:59 CDT 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)

From: Mayne, Christopher G []
Sent: Friday, April 24, 2015 11:53 AM
To: Evandro Semighini
Cc: Bennion, Brian;
Subject: Re: namd-l: Re: Problems to parametrize molecules

Can we also have the ParamChem output as well?

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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