[gmx-users] topology file

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 24 14:10:28 CEST 2009

abhijit kayal wrote:
> Hi,
>     Myself Abhijit Kayal,student at IITD.Is it possible to create a 
> topology file by Amber or some other molecular dynamics software for 
> nonstandard molecules such as n-butane and can these topology files be 
> used in gromacs?please reply.

Yes.  There are scripts in the User Contributions section of the website that 
will do exactly that.


> Abhijit Kayal
> IIT Delhi
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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