[MMTK] use nmoldyn2 with Amber
adriendelmont at yahoo.com
Sun Mar 8 14:53:37 UTC 2009
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
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