Dear Alex My initial target to obtain nanomechanical properties of cellulose nanofibril. I have an 18 chain Cellulose Iβ structure of 20 residues. I want to obtain the young modulus of the fibril my molecular dynamics.
But I am confused how I can approach to obtain this target. Thanks for the response. And wish some guidance. Best Regards Md Imrul Reza Shishir On Fri, Mar 24, 2017 at 5:35 PM, Alex <[email protected]> wrote: > Hi there, > > Everyone is confused about how to get stress-strain curves from Justin's > tutorial. Because it has nothing to do with nanomechanics. Obtaining > Young's modulus from a particle-based simulation is quite elementary, if a > clear physical picture is present. > > Please describe your system and explain what you are trying to achieve. > > Alex > > > On 3/24/2017 2:15 AM, Md. Imrul Reza Shishir wrote: > >> Dear all >> My target is to calculate nanomechanical properties (i.e. young's >> modulus/elastic modulus) from a strain-stress curve. >> For this purpose, I study Beven lab umbrella sampling pull code >> simulation. >> After that, I also run the same procedure simulation on my desire system. >> But I am now confused how I can obtain strain-stress curve from this >> simulation data. >> >> I want some guidance about this purpose. >> >> Thank you very much >> >> > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/Support > /Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- *Md Imrul Reza Shishir* Master Student *Inha University* *CRC for NanoCellulose Future Composites* 36 Getbeol-ro, Yeonsu-gu Incheon 21999 South Korea -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
