[gmx-users] gromacs trajctory mmpbsa

jacopo.sgrignani at unifi.it jacopo.sgrignani at unifi.it
Mon Apr 14 15:12:20 CEST 2008

Dear gromacs user,
I would like  to perform an MMPBSA calculation of a proetin ligand
complex using a gromacs trajectory,  but this is the first time I try to
do it so I have some questions.
Did anybody use the Amber-MM-PBSA script with gromacs trajectory? 
I tried to transform the gromacs traj using VMD in a crd file but when i
use the mm-pbsa script i can get only an error?
Are there other solutions to perform this calculation without rerun the
trejctory with Amber?
I'm sorry if this is an old question, but i found only a message about
this and It's quite old.

Thanks a lot


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