Re: [gmx-users] how to write a annealing .mdp

2006-09-13 Thread Qiao Baofu
Hi,  set T_couple=no and refer to the following script; SIMULATED ANNEALING  ; Type of annealing for each temperature group (no/single/periodic)annealing    = single; Number of time points to use for specifying annealing in each group annealing_npoints    = 6; List of times at the a

[gmx-users] how to write a annealing .mdp

2006-09-12 Thread zzhwise1
hello everyone   i want to anneal my system,but i don't konw how to wrote a right annealing-mdp! could anyone give me a moldel?   tanks in advaced!               3G 时 代 来 临 了,坚 决 对 传 统 邮 箱 说 不 ! 新 一 代 极 速 3G 邮 箱 闪 亮 登 场 ,280 兆 网 盘 免 费 送 ! 点 击 此 处 注 册