On Tue, Aug 01, 2017, Saikat Pal wrote:
>
> If I use source leaprc.gaff command for DNA and protein is it load gaff
> forcefield or ff14SB force field??
Take a look at the leaprc.gaff file: it only loads parameters, not any
biomolecule libraries. You don't want to use gaff for proteins or nucleci
acids.
> I want to take ff14SB force field for DNA and Protein ,AND gaff force
> field for ionic liquid.please suggest me my steps are correct or not .
source leaprc.protein.ff14SB
source leaprc.DNA.OL15
source leaprc.gaff2
Above commands will load the current recommended parameters and libraries
for proteins, DNA and general molecules. As noted above, for the latter, you
will need to make your own residue libraries.
....dac
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Received on Tue Aug 01 2017 - 05:30:04 PDT
