[gmx-users] Using GROMACS with small molecules

Alexandre Suman de Araujo asaraujo at if.sc.usp.br
Sun Dec 9 16:54:52 CET 2001

Hi guys

It's my first message to the list and I'm a begginer in molecular dynamics. A friend of mine that work with molecular dynamics of proteins told me about GROMACS and that I could use it to make my simulations of small organometalics molecules.
I installed GROMACS in my PC and I read a good part of manual and the archieve of this list and I still have the following doubt: Can I use GROMACS to make my simulations of small organometalics molecules with relative easiness and with good results???
If somebody work with this type of simulation, every help is welcome. If GROMACS is not a good choice to make this simulations, can somebody advise me which one(or ones) are good???
Thank's a lot.

Alexandre Suman de Araujo
IFSC - USP - São Carlos
UIN: 6194055
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