Hello everybody > I am working on absorption of Morphine molecule on carbon nanotubes with molecular dynamics but unfortunately I have not suitable force field for this purpose. There are some codes to do this (For example Force Field Toolkit in VMD) but normally they need commercial DFT codes and software. I am looking for some methods to generate force field with SIESTA. Would you please let me know you you have any information about my problem? Thanks in advance
Best Regards Reza Kalantari Nezhad Mechanical Engineering PhD Tehran Iran [email protected] [email protected] Cell Phone: +98-935-2578543 & +98-912-7633204
