[gmx-users] scaling factor for rna/dna

Erik Marklund erikm at xray.bmc.uu.se
Tue Mar 26 11:34:22 CET 2013


Hi,

I suggest contacting people in Johan Åqvist's lab. I'm sure they know exactly what pitfalls there may be with regards to the choice of LIE parameters and what has been done for different types of molecules.

Erik

On 26 Mar 2013, at 02:42, Vishwambhar Bhandare <vishwayogi at gmail.com> wrote:

> dear gromacs users,
> I am doing LIE calculation in gromacs for RNA molecules,
> What scaling factor (alpha and beta) should i use for calculation?
> Is that default values for protein ligand will work'?
> how we can get these alpha and beta scaling factors for nucleic acid?
> thanks in advance..
> 
> 
> Thanks and Regards,
> --------------------------
> Vishwambhar
> Centre for Bioinformatics
> Pondicherry University
> Pondicherry
> --------------------------
> 
> Note: Strictly confidential to Vishwayogi
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