标题: How is the performance of SOLVATE program ? [打印本页] 作者Author: zako 时间: 2021-4-30 19:49 标题: How is the performance of SOLVATE program ? Hello Dear All, how's it going everybody,Does any one before used the SOLVATE program in MD Simulation ? [https://www.mpibpc.mpg.de/grubmu ... oOabA2axofsYG2NUymM]
If yes, is there any differences from Packmol program?
作者Author: sobereva 时间: 2021-4-30 20:06
It seems that the main purpose of the SOLVATE program is to create a layer of water with a certain thickness around the solute. PACKMOL is not suitable for this kind of thing
In fact, the main function of the SOLVATE program can also be achieved through the "solvate" command that comes with GROMACS combined with the -shell option