[AMBER] WHAM analysis

From: Thakur, Abhishek <axt651.miami.edu>
Date: Fri, 19 Aug 2016 21:55:16 +0000

Hi

I am trying to do WHAM analysis after QM/MM.

But the result file that I am getting is [😎]

#Coor Free
3.471739 0.221101
3.615217 inf
3.758696 inf
3.902174 inf
4.045652 inf
4.189130 1.645569
4.332609 0.000000
4.476087 inf
4.619565 inf
4.763043 inf
4.906522 inf
5.050000 2.616324
5.193478 0.022866
5.336957 2.745523
5.480435 inf
5.623913 inf
5.767391 inf


Now I don't know why this inf is coming in my result file.


Thanking you,

Abhishek




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Received on Fri Aug 19 2016 - 15:00:02 PDT
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