[gmx-users] Uniform Distribution of drug molecules inside water spc216

meisam valizadeh kiamahalleh meisam488 at gmail.com
Wed Oct 12 17:13:50 CEST 2011

Dear GMX users
Good day to you
I have some drug molecules (cisplatin) added manually and randomly inside a
system which is going to be solvated in spc216 water.  I used genbox command
to add the correct number of water molecules needed to solvate the box. The
drug molecules are located very closed to each other. Kindly, would you
please let me know how I can distribute drug molecules uniformly among the
water molecoules to obtain a certain concentration of the drug? May I know
if there is any specific tool or script which can help me to do it?
Thank you very much
Kind regards
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