Re: [gmx-users] au virtual site

2012-09-02 Thread Justin Lemkul
On 9/1/12 3:38 PM, fatemeh ramezani wrote: Dear gromacs users I want to simulate gold nanoparticle by golp force field that needs to determine virtual sites for Au atoms. I read gromacs manual section 5.2.2 and 4.7 but it is not clear that how can I do it and .also I read virtual site tuto

[gmx-users] au virtual site

2012-09-01 Thread fatemeh ramezani
Dear gromacs users  I want to simulate gold nanoparticle by golp force field that needs to determine virtual sites for Au atoms. I read gromacs manual section 5.2.2 and 4.7 but it is not clear that how can I do it and .also I read virtual site tutorial for CO2 but it is for a 3 atomic molecule a