[gmx-users] Incorporate two files in Gromacs

rohit gole merohisg at yahoo.co.in
Sun Aug 26 00:15:43 CEST 2007


I want to simulate two proteins, so for that is there any process to give both files as an input and then fix the initial distance between them on my own choice or do I need to make one separate file having both proteins and then use this file as an input to GROMACS.

Yang Ye <leafyoung at yahoo.com> wrote: Please explain your purpose more clearly.

On 8/25/2007 9:47 PM, rohit gole wrote:
> Hi,
>
> Is there any way in GROAMCS to incorporate two PDB files separately 
> and then do simulation instead of appending both files to create a 
> single file?
>
> If yes, then how the distance can be manipulated between the two 
> proteins from the files?
>
> TIA
>
> Rohit
> IIT kanpur
>
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