Thanks alot for the info.
Nancy
On Fri, Mar 25, 2011 at 6:22 PM, Justin A. Lemkul wrote:
>
>
> Nancy wrote:
>
>> Hi All,
>>
>> I would like to calculate RMSDs of a large number of small molecule
>> conformations against a reference conformation, is there a simple software
>> program or method t
Nancy wrote:
Hi All,
I would like to calculate RMSDs of a large number of small molecule
conformations against a reference conformation, is there a simple
software program or method that can be used to perform such calculations?
This can easily be scripted:
http://www.gromacs.org/Document
Hi All,
I would like to calculate RMSDs of a large number of small molecule
conformations against a reference conformation, is there a simple software
program or method that can be used to perform such calculations?
Thanks in advance,
Nancy
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