Hi Carlos,
Did you autoimage your trajectory before analyzing?
Regards
*Elvis Martis* Ph.D. Student, Bombay College of Pharmacy
[image: photo] Email: elvis_bcp.elvismartis.in <elvis_bcp.elvismartis.in>
Website: http://www.elvismartis.in <http://www.elvismartis.in/>
group website: http://www.profeccoutinho.net.in/
Address:
Kalina, Santa Cruz [E]
, Mumbai, 400 098, INDIA
Alt. e-mail: emartis12.live.com
<
https://in.linkedin.com/in/elvisadrianmartis>
On 2 December 2016 at 12:09, Carlos Romero <carlos.rom.74he.gmail.com>
wrote:
> Hi dear Amber User's.
> have a nice day.
>
> I am simulating thrombin in presence of Li+ ions.
> I excecuted 750 000 steps MD, I got a stable MD according to EPTOT and ETOT
> graphics, but when I analyzed with VMD, I saw something that I can not
> undrestand,
> In frame 1, the graphic is like figure VMD1, in frame 313, it is like VMD2
> and the final frame, it looks like figure VMD3,
> my question is, is it OK my simulation? or what can I understand according
> to these figures.
>
> Thanks in advance
>
> Regards
>
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Received on Thu Dec 01 2016 - 23:00:03 PST
