[gmx-users] Can I convert Amber (.prepin) into Gromacs (.itp) topology?

SeungPyo Hong sp1020 at gmail.com
Tue Aug 21 22:14:29 CEST 2007

Dear gmx-user,
Until yesterday, I believe in PRODRG server.
But when I inspect the result carefully, I found it does not make sense at
Of course, its because I did not modify the input and just thought all the
process will be done automatically.

Anyhow, I also found that partial charge is not plausible even after I get
the plausible structure by adding some options in it.
So, I tried amber's antechamber, and get .prepin file and the partial charge
in it seems to be reasonable.

Then, I want to convert .prepin file into .itp file.
Is there a software doing that work?

Or, is gromacs has tool that generate topology parameters like antechamber
in amber?

Thank you for reading.

'God used beautiful mathematics in creating the world.'
-Paul Dirac
'But he created too many objects.'
-Seungpyo Hong

Seungpyo Hong
Master student at PBIL(Protein BioInformatics Lab.) in KAIST, Daejeon Korea
Tel. (82)-18-372-2468
sphong_ at kaist.ac.kr
sp1020 at gmail.com
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