Sent to CCL by: John W Daily [john.daily_-_colorado.edu] Jonas,I have never had luck running tinker from FFE. Instead I run it directly from the command line. Of course you have to compile it for the machine of your choice. The distribution I have has all the programs and subroutines in one directory. There are make files for a variety of machines and compilers other directories. It is relatively straightforward to modify one for your own use. In most cases all the subroutines are compiled and then places in a library. The main programs can then be linked with the library. You can figure out which are the main programs because they are listed in the manual.
JohnOn Nov 5, 2009, at 6:36 PM, Jonas Baltrusaitis jasius_1||yahoo.com wrote:
Sent to CCL by: "Jonas Baltrusaitis" [jasius_1_-_yahoo.com] Dear all,is anybody using TINKER by any chance? I have been trying to run jobs using FFE but found it impossible. Manual is to concise and I can;t run any jobs as I find pdbxyz, nucleic and protein commands only, whereas in the manual it clearly shows Optimize, no idea how to get there.is there any mailing list or board for Tinker? thanks Jonas-= This is automatically added to each message by the mailing script =- To recover the email address of the author of the message, please change> Conferences: http://server.ccl.net/chemistry/announcements/ conferences/>