Dear Amber Devs,
This error has been reported a fair few times before, as is the apparent solution.
http://archive.ambermd.org/201412/0132.html
http://archive.ambermd.org/201303/0229.html
http://archive.ambermd.org/201101/0220.html
I was just wondering whether the radii for Fe will be added in a future patch/update? I currently run my calculations on a GPU cluster and am thus unable to add the required lines to mdread2.F90 - and the admins are understandably reticent to modify the source code.
Or if there is another way to circumvent the need to add lines to the source, please let me know.
Many thanks,
Kavin
-----------------------------
Kavin Abelak
PhD Student
Comparative Biomedical Sciences
Royal Veterinary College
4 Royal College St
London NW1 0TU
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Received on Mon Nov 02 2015 - 07:00:03 PST
