Dear Sir or Madam: I¡¯m a PH.D candidate of Institute of Mechanics, Chinese Academy of Sciences. We are interested in the trajectory nonbonded energy analyses (e.g. hydrogen bond energy) of selected atoms or residues of dynamics simulations (the trajectory will be gotten by NAMD, one dynamic simulation program), and found that X-PLOR maybe can do the work. But because we don¡¯t know X-PLOR well, so want to consult you some questions and hope that will not bother you much. The questions are as followed: 1) About XPLOR, I know the initial version is XPLOR 3.1, then XPLOR 3.851, and XPLOR-NIH. What¡¯s the difference among of them? XPLOR-NIH always emphasizes the anlysis of NMR data, does it includes other functions of XPLOR 3.1 or 3.851, especially the trajectory analyses? 2) I want to run XPLOR on IBM/SP-6000 workstation, with operate system AIX 4.3, 4 nodes, 16 CPU/node. Is there the corresponding version of XPLOR which can work smoothly on that kind of workstation, and how install it? Thank you very much! Sincerely yours, Shouqin Lv
========================== 263µç×ÓÓʼþ£ÐÅÀµÓÊ×Ôרҵ
