回复： Re: 回复： Re: 回复： Re: [gmx-users] about using amb2gmx.pl

[Mark Abraham]

xi zhao wrote:
> Easily, I have a pdb complex(pdb: 1O5P), I want to produce corresponding 
> gro top files, but I can only produce chromophore gro and top file using 
> amb2gmx.pl .Are you clear ?  

No. If you have a structure file already, then you need to read what I
wrote earlier. If you don't have a structure file already, then you need
to read what I wrote earlier. If you have some problem getting an
existing AMBER structure+prmtop to convert properly, then you haven't
communicated that. If you haven't got an AMBER structure+prmtop, then
give up on amb2gmx.pl

Try explaining your problem in English to a friend who doesn't fully
understand the science. Then apply the lessons you learned there to
describing the problem here :-)

Mark