[gmx-users] protonate programs in gromacs3.3
sunnytov at hotmail.com
Wed Jan 25 19:14:17 CET 2006
I was able to protonate my molecule with the previous version gromacs3.2.1.
I recently tried to use "protonate" program in a new gromacs version 3.3.
This new version is asking me to give data file as one of a input file
but I am not quite sure what the data file might be.
Has anyone tried protonate program in version 3.3 and can you tell me
what have been changed from the previous version?
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