Hi all, I am trying to do pulling simulation. Following are the pull parameters
pull = umbrella pull_geometry = direction pull_vec1 = 0 0 1 pull_group1 = RNA pull_rate1 = 0.01 pull_k1 = 1000 pull_start = yes Everything works fine until the pull group COM reaches half the box length. The COM position changes by the box length and that causes huge force on the group. What should i do to fix this ? Also i am using NPT coupling. Amit
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