The large magnitudes of orthogonal barriers in such systems will lead to both
systematic and statistical
sampling errors that motivate the application of both approaches, preferably
repeated a few times each.
So I think that Justin is right, in an idealized situation. I might modify his
Hi All,
I have a question regards to PMF:
Consider we are sure one protein will bind to membrane after 100ns in MD run
and make a complex. Instead of pulling protein to membrane to calculate PMF,
can we start from last configuration of protein-membrane complex and pull
out protein to separate
On 8/10/12 11:18 AM, dariush wrote:
Hi All,
I have a question regards to PMF:
Consider we are sure one protein will bind to membrane after 100ns in MD run
and make a complex. Instead of pulling protein to membrane to calculate PMF,
can we start from last configuration of protein-membrane
3 matches
Mail list logo