Hi,
I am a new user of M.Studio. I have build model for some molecules. But it looks very different(in terms of bond length, angles...) from some reference data. So, I think minimization of the model may solve the problem. Can anyone tell me the basic command for Unix to do minimization. I am using CHARm force field. My aim is to get the accurate XYZ coordinates of the different atoms in the model.
Thanks
Shopnik
I am a new user of M.Studio. I have build model for some molecules. But it looks very different(in terms of bond length, angles...) from some reference data. So, I think minimization of the model may solve the problem. Can anyone tell me the basic command for Unix to do minimization. I am using CHARm force field. My aim is to get the accurate XYZ coordinates of the different atoms in the model.
Thanks
Shopnik