so easy!
1、put the protein in the middle of the water box
2、use the comand of "within" in the VMD, and select the water within 10( or 20 as your wish ) of the protein, then ,delete the selected waters
3、save the final PDB.
ok, you will get it,
so easy!
1、put the protein in the middle of the water box
2、use the comand of "within" in the VMD, and select the water within 10( or 20 as your wish ) of the protein, then ,delete the selected waters
3、save the final PDB.
ok, you will get it,
楼上的回答应该可行。但不知楼主为何要这么做,因为一般是围绕着蛋白给它加上水分子,而按楼主那样,得到的溶剂化应该不会好。
packmol这个插件你用过吗