gmx genconf -f dppc_box.gro -nbox 11 1 15 -o mem_up.gro 假设我们需要一个X和Z方向尺寸都为8 nm左右的脂双层,则根据上一小节末尾的dppc小盒子的尺寸,计算在X和Z方向上各应该平铺多少个小盒子。-nbox后面跟的三个参数呢,就是X、Y、Z方向上平铺的小盒子的个数。这里粗略计算了下,大致X方向上铺11个...
>> rotation... And have a good look at what you're actually trying now by >> taking the rotated system and stack it a few times using genconf -nbox 2 2 2 >> >> Cheers, >> >> Tsjerk >> >> On Jan 6, 2011 7:22 PM, "mohsen ramezanpour" >> <ramezanpour.moh...@gmail.c...