[gmx-users] protonate programs in gromacs3.3

이 선주 sunnytov at hotmail.com
Wed Jan 25 19:14:17 CET 2006

Hello All 

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?

Thank you

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