Thanks a lot. It seems much more reasonable. Let me try with the free energy
code. And, yes, I understand that the system will not behave as a physical
system. I just want to check the effect of charged residues on the polymer
properties of the chain.
RegardsAtanu
On Sunday, 8 October 20
On 08/10/17 04:12, atanu das wrote:
Hi,
I am intending to run a simulation of a protein in 100 nM NaCl solution by
turning off protein's electrostatic interactions, but keeping the LJ alive, so
that water and salt behave as usual and the protein only behaves as a
hydrophobic polymer chain. The
Hi,
I am intending to run a simulation of a protein in 100 nM NaCl solution by
turning off protein's electrostatic interactions, but keeping the LJ alive, so
that water and salt behave as usual and the protein only behaves as a
hydrophobic polymer chain. The most obvious way that I could think o
