Re: [gmx-users] Comparing the simulation

On 7/20/13 9:12 AM, rama david wrote: Dear Justin, Thank you for your Prompt Reply. I run a at least 4-5 run of each peptide. The result are like the xx peptide form beta structure early than yy peptide in each run. I just used the different tau_P ( relaxation time ) for NPT and MD product

Re: [gmx-users] Comparing the simulation

Dear Justin, Thank you for your Prompt Reply. I run a at least 4-5 run of each peptide. The result are like the xx peptide form beta structure early than yy peptide in each run. I just used the different tau_P ( relaxation time ) for NPT and MD production run. XX tau_p = 2 YY

Re: [gmx-users] Comparing the simulation

On 7/20/13 5:27 AM, rama david wrote: Dear Friends, I did the Simulation study for self assembly of peptides . ( I used G96 53a6 FF ) In First Experiment, I put the two XX peptide far from each other 2.0 nm, and run the simulation. In the second experiment I put the two

[gmx-users] Comparing the simulation

Dear Friends, I did the Simulation study for self assembly of peptides . ( I used G96 53a6 FF ) In First Experiment, I put the two XX peptide far from each other 2.0 nm, and run the simulation. In the second experiment I put the two YY peptide seperated by 2.0 nm. and run the