[gmx-users] charge on protein

4tejender 4tejender at indiatimes.com
Sun Jan 23 16:59:42 CET 2005


hello users
 i m new to gromacs can anyone tell me it is advisable to simulate protein with high charge.does it effect reliablity of the dyanamics. if yes what is a proper method to reduce the charge. i m getting waring for a non zero charge of -15.000e during processing protein file.

thanks in advance
teje
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