[gmx-users] the force field in GMX(further)
jiqing at iccas.ac.cn
Wed Dec 21 12:40:02 CET 2005
In manual-3.2 chapter4 ,it said that the potential functions can be subdivided into Non-bonded, Bonded and Special. Each of them has many function. Can i choose any one of them just by modify funct in top file? And when i use different type of force field?
In GROMOS96 53a6 force field ,i set bonds in top like follows :
[ bonds ]
1 2 2 (3)
that means it will use Fourth power potential for bond stretching computation?
if i want it use Morse potential bond stretching, i can do that just by change the last column from 2 to 3?! Is that right? How can i get the ID for each function?
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