Mark,
> Only if the apo form has room for you to cut and paste in all your
> ligands... You'll have to equilibrate independently in each case, so you
> don't gain anything by not creating the system from the beginning each time.
This can gain in terms of avoiding of time-consumptions solvation
On 26/07/2012 10:14 PM, James Starlight wrote:
Dear Gromac's users!
I have some questions about simulation of the membrane protein
complexed with it's ligand in the membrane environment.
1- I want to simulate number of such similar systems ( e.g protein in
POPC bilayer) which differs only in l
Dear Gromac's users!
I have some questions about simulation of the membrane protein
complexed with it's ligand in the membrane environment.
1- I want to simulate number of such similar systems ( e.g protein in
POPC bilayer) which differs only in ligand complexed into protein
interiour. Should I
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