Dongsheng Zhang wrote:
Yang Ye,
Thank you very much!
Do you know if there is any reason for gromacs to prevent using both LJ
and Buckingham potential for nonbonded interaction between different
atoms? I have a force field which includes an attractive part of
Buckingham potential for h-bond (All
Yang Ye,
Thank you very much!
Do you know if there is any reason for gromacs to prevent using both LJ
and Buckingham potential for nonbonded interaction between different
atoms? I have a force field which includes an attractive part of
Buckingham potential for h-bond (All other nonbonded interact
Longshoremen Zhang wrote:
On Mon, 2006-07-10 at 13:58 +0800, Yang Ye wrote:
Dongsheng Zhang wrote:
Yang Ye,
Thank you very much for your help. I still have some questions:
On Mon, 2006-07-10 at 11:35 +0800, Yang Ye wrote:
Dongsheng Zhang wrote:
Dear GMX users
On Mon, 2006-07-10 at 13:58 +0800, Yang Ye wrote:
> Dongsheng Zhang wrote:
> > Yang Ye,
> >
> > Thank you very much for your help. I still have some questions:
> >
> > On Mon, 2006-07-10 at 11:35 +0800, Yang Ye wrote:
> >
> >> Dongsheng Zhang wrote:
> >>
> >>> Dear GMX users:
> >>>
> >>>
>
Dongsheng Zhang wrote:
Yang Ye,
Thank you very much for your help. I still have some questions:
On Mon, 2006-07-10 at 11:35 +0800, Yang Ye wrote:
Dongsheng Zhang wrote:
Dear GMX users:
Could someone help me to understand these information from a position
restrained tpr file?
1. e
Yang Ye,
Thank you very much for your help. I still have some questions:
On Mon, 2006-07-10 at 11:35 +0800, Yang Ye wrote:
> Dongsheng Zhang wrote:
> > Dear GMX users:
> >
> >
> > Could someone help me to understand these information from a position
> > restrained tpr file?
> >
> > 1. excl[0][0
Dongsheng Zhang wrote:
Dear GMX users:
Could someone help me to understand these information from a position
restrained tpr file?
1. excl[0][0..17]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 13, 14, 15,
16, 18, 26, 28}
Exclusion group 0, there are total 17 exclusions in
Dear GMX users:
Could someone help me to understand these information from a position
restrained tpr file?
1. excl[0][0..17]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 13, 14, 15,
16, 18, 26, 28}
2. blocks[CGS][0][0..19]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11,
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