[AMBER] Difference between ntx5 and ntx 7

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Tue, 2 Oct 2012 14:01:14 +0800 (SGT)

Dear all,

I want to run a MD step from the MD.restrt. According to Amber manual for this I have to set irest=1 and ntx=4-7. In the manual (Amber11 p.25) it is described. But what is the significance of ntx=7 is not mentioned there and in the tutorial generally ntx=7 is used.

Please tell me the significance of ntx=7 and the difference between ntx=5 and ntx=7.

Thanks in advance.

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Received on Mon Oct 01 2012 - 23:30:03 PDT
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