Hi,
I am new to the software of Material Studio and I recently encountered some difficulties about implementing ReaxFF-MD for my research.
By searching through the help doc and forum, it seems GULP is the only available module to perform a ReaxFF MD simulation in the software, but it seems another algorithm based on some fundamental theories mostly related with solid phase dynamics that I am not understand for now. So my question would be: is that reasonable to perform the ReaxFF-MD simulation for a polymer such as synthetic rubber or cellulose?
Besides, I read some thing in the manual that the software is support for the customized forcefield and potential functions, so is that possible to write my own functions and import the existing parameter set from publications and using forcite as platform to carry out the dynamics. Many thanks!
Best regards,
Tingxuan
