Dear users, Could you give me a sample input for ground state molecular dynamics in NVT ensemble?
I saw si.md2.in in example04 folder, but there is no information about temperature. Thank you in advance. Sincerely, Min. -------------------------------Sig.--------------------------- Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology (POSTECH) Mr. Seung Kyu, Min Ph.D. Candidate E-Mail: min0220 at postech.ac.kr Tel. : 82-54-279-5858 ----------------------------------------------