Re: [gmx-users] trjconv with multiple chains

On 07/01/11 02:17, yuanyuan wang wrote: dear all, I am doing a simulation that have many chains in a box , and I can find a center for them after serval tries. I use almost every option of trjconv,-pbc mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box

Re: [gmx-users] trjconv with multiple chains

Amit Choubey wrote: Make your box bigger? Box size is unrelated to trjconv. Periodicity effects will still apply - things will diffuse no matter how large you try to make the box. -Justin 2011/1/6 yuanyuan wang mailto:yilin3...@126.com>> dear all, I am doing a simulat

Re: [gmx-users] trjconv with multiple chains

Make your box bigger? 2011/1/6 yuanyuan wang > dear all, > I am doing a simulation that have many chains in a box , and I can > find a center for them after serval tries. > I use almost every option of trjconv,-pbc > mol,atom,res,whole,nojump , -ur compact, -center , -box to go

[gmx-users] trjconv with multiple chains

dear all, I am doing a simulation that have many chains in a box , and I can find a center for them after serval tries. I use almost every option of trjconv,-pbc mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box, and -boxcenter, -fit .. still som

Re: [gmx-users] trjconv with multiple chains problem

yuanyuan wang wrote: dear all, I am doing a simulation that have many chains in a box , and I can find a center for them after serval tries. I use almost every option of trjconv,-pbc mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box, and -boxcenter,

[gmx-users] trjconv with multiple chains problem

dear all, I am doing a simulation that have many chains in a box , and I can find a center for them after serval tries. I use almost every option of trjconv,-pbc mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box, and -boxcenter, -fit .. still som