Gromacs trr file Files with the trr file extension contain the trajectory of a simulation. In this file all the coordinates, velocities, forces and energies are printed as you told GROMACS in your...
Basis Compare two folders, 比較兩個目錄內檔案的差異，列出所有差異處 1 diff -bur folder1/ folder2/ 比較兩個目錄內檔案的差異，只列出有差異的檔案名稱 1 diff -qr folder1/ folder2/ 1 diff -qr folder1/ folder2/ | sort Handle files with patter...
Convert g96 to xyz 1 gmx editconf -f input.g96 -o output.gro 1 obabel input.gro -O output.xyz
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