Re: [gmx-users] The molecule size

2006-09-18 Thread David van der Spoel
主月 ：） wrote: > Hi: > > Two melt models were built for polyethylene (PE) and > polyvinylmethylether (PVME) melt with PBC condition . > > The density of both melt model agree with experimenal value well.But > when one check the radius of gyration (Rg) of them, both of them were > too sm

Re: [gmx-users] The molecule size

2006-09-17 Thread 主月 ：）
> Hi:>  > Two melt models were built for polyethylene (PE) and > polyvinylmethylether (PVME) melt with PBC condition .>  > The density of both melt model agree with experimenal value well.But > when one check the radius of gyration (Rg) of them, both of them were > too small to acce

Re: [gmx-users] The molecule size

2006-09-17 Thread Mark Abraham
主月 ：） wrote: > Hi: > > Two melt models were built for polyethylene (PE) and > polyvinylmethylether (PVME) melt with PBC condition . > > The density of both melt model agree with experimenal value well.But > when one check the radius of gyration (Rg) of them, both of them were > too small to

[gmx-users] The molecule size

2006-09-17 Thread 主月 ：）
Hi:   Two melt models were built for polyethylene (PE) and polyvinylmethylether (PVME) melt with PBC condition .   The density of both melt model agree with experimenal value well.But when one check the radius of gyration (Rg) of them, both of them were too small to accept as foll