[gmx-users] RE : big system

Mark Abraham Mark.Abraham at anu.edu.au
Wed Mar 11 18:03:04 CET 2009

noob noob wrote:
> Dear all,
> If I have available computing resources and hard disk space..i have no 
> worries already...right?
> How about the parameters?
> because I performed the smaller system (smae types of molecules) and now 
> I wanna perform a bigger system with increasing the number of molecules 
> and box size. So I condering about the parameters. Can I use the same 
> parameter as before one?

Yup. It sounds like you should be doing some background reading so that 
you understand what the force fields are doing! There's no more reliable 
way to waste months of computing resources than to have failed to do a 
week of reading.


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