Hi,
There is not yet an option to do this in cpptraj - it's on my list of
things to eventually add by the next release of AT (I hope!).
-Dan
On Thu, Jun 16, 2011 at 4:26 AM, Xiao Chen <chen.xiao.po.gmail.com> wrote:
> Hi All,
>
> Is there a way of calculating B-factors using cpptraj (an analog to
> atomicfluct in ptraj) ??
>
> Thanks ,
>
> Po
>
> On Wed, Jun 15, 2011 at 12:58 PM, Xiao Chen <chen.xiao.po.gmail.com> wrote:
>
>> Is there a way of calculating B-factors using cpptraj (an analog in
>> atomicfluct in ptraj) ??
>>
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Received on Thu Jun 16 2011 - 08:00:06 PDT
