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On 13/02/2012 12:15 PM, xiaojiong wrote:
<blockquote
cite="mid:KXAZKOCHJDFKVGYVDDGGNWLGWCRG.xiaojiong@zju.edu.cn"
type="cite"><font size="5">Dear:<br>
If I have used the charmm-gui to build the bilayer for the receptor-ligand complex,can I load the outcome to the gromacs to perform MD?Is the process complicated?
How do it? Thanks! </font><br>
</blockquote>
<br>
You can probably write a .pdb coordinate file from any tool and read
it with any GROMACS tool. Constructing your topology will be harder,
and for grompp you will need the atom and residue naming to match
that of your coordinate file.<br>
<br>
Mark<br>
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