subject:"\[gmx\-users\] Pull Code constant value"

Re: [gmx-users] Pull Code constant value

2017-03-28 Thread Vytautas Rakeviius

I suggest trial and error in quite short runs without wasting time on waiting for next day or so. Really large k can create segmentation faults or "cannonball into wall" like effects in MD movie. On Tuesday, March 28, 2017 2:43 PM, Souparno Adhikary wrote: Hi

[gmx-users] Pull Code constant value

2017-03-28 Thread Souparno Adhikary

Hi all, I am trying to pull a DNA molecule out of its binding pocket in a protein. I took Justin Lemkul's tutorial as the guiding script and started with k1 value of 1000. As it seemed, it needed more force to detach the molecule from its binding partner. Can you tell me how to estimate/calculate