Using VMD to rotate the protein so as to it's vertical to z axis. you need to get the v by vector.sh. vector.sed must be prepared for calling. the symmstry here is four monomers, however three points define one surface. the resid need to reconfigure in vector.sed to get the v. 其中 vector ...
如何利用 gromacs 自带分析工具,计算两个原子之间的距离? g_dist : g_dist can calculate the distance between the centers of mass of two groups of atoms as a function of time. 需要提供 index 文件。每个原子是一个 group 。 还需要 tpr 文件,由于可能涉及到 pbc 。 自动计算多组脚本:(同时将数 ...