[gmx-users] Re : genion

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jan 17 12:36:18 CET 2011

On 17/01/2011 8:07 PM, bharat gupta wrote:
> Hi ,
> My protein is having a total charge of -3.5 so in that case how many 
> ions shall i add  - 3 or 4 ??

Your structure is broken, perhaps by inappropriate use of termini. Look 
at your structure in a visualization program.


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