is there any server which uses amber force field to make gro file. acpype commnad can convert amber topology to gromacs. If theres another direct way to deal with this
U must first install ambertools (its fortunately free!). Then make your .prmtop and .crd files using tleap or xleap (included in Ambertools). then use this file to convert .prmtop and .crd files to .top and .gro files
https://www.dropbox.com/s/rfjpz45we1f5h0z/amb2gmx_dihe_old.pl
Yes, you can make GROMACS topology file.
A python script will do that: http://code.google.com/p/acpype/
U must first install ambertools (its fortunately free!). Then make your .prmtop and .crd files using tleap or xleap (included in Ambertools). then use this file to convert .prmtop and .crd files to .top and .gro files
https://www.dropbox.com/s/rfjpz45we1f5h0z/amb2gmx_dihe_old.pl
Hi,
Is parmed.py (which will come along with AMBER Tools) will do the same ? if Yes , can anyone please explain how to use this script to convert AMBER topology to gromacs toplogy ?
Thanks in advance.
Anji Babu
hello, Amir are you sure tleap and xleap if free in AMbertools? if yes can you please suggests how to make .prmtop files?
Because my ACPYPE server is failed due to unavailability of .prmtop files
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