Hi All
I ran some simulations with GPU code AMBER12 (bug-fix upto 7 only) and now I know I am using old AMBER12 (latest upto 21 patches!). I noticed many bug fixes above 7 are for pmemd.cuda GPU
I am confused now what to do or what usually people do as patches are available from time to time (esp. for GPU):
1) Shall I run all simulations again using all patched AMBER12 version or
2) continue using old amber12 (with bugfix upto 7)
3) can continue same run with new AMBER bug fix patches
Thanks for suggestions.
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Received on Fri Jan 31 2014 - 09:30:04 PST
