[MMTK] use nmoldyn2 with Amber

Adrien Delmont adriendelmont at yahoo.com
Sun Mar 8 14:53:37 UTC 2009

Dear All,
I want to use nmoldyn2  with Amber 10 trajectory files for calculating the mean square displacement and velocity autocorrelation function. My goal is to obtain Self-diffusion coefficient from MSD and VAC. But I think I should need a Amber trajectory file converter for nmoldyn2 according to the User’s Guide. But I coudn't find the converter. Could you please give me the information where I can get the converter ? I'm waiting for your help.
Thanks in advance


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://starship.python.net/pipermail/mmtk/attachments/20090308/cf5fe9a5/attachment.htm>

More information about the mmtk mailing list