Rotating Constraints

From: Sourav Purohit (
Date: Tue Feb 24 2015 - 14:23:26 CST

I have a system with two DNA fragments, one stacked on top of other. I
rotated one DNA about their common axis through 360 degrees, keeping the
other DNA fixed. I calculated the torque as described in the NAMD manual.
The torque is fluctuating about zero symmetrically leading to a zero
average torque. The work done in rotating the DNA should be non-zero at
least for every one-fourth rotation, but currently it adds up to zero. Why
am I getting a torque that fluctuates about zero. What could have gone

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