[gmx-users] Problems with Ion

Fábio Filippi Matioli fabiofima at hotmail.com
Wed Nov 19 22:31:05 CET 2014

Hello, I have a new problem today with gromacs.

After the mdrun, 
the gromcas generate a after.gro, that its the protein after the MD. But
 on this file the CA ions its in different positions when compared with 
the movie generated on VMD using the after and the .trr, fixed the jump 
box using the trjconv.
I would like to generate a pdb with the last frame of the MD's movie

Can you help me please?


Fábio Filippi MatioliMestrando 
Departamento de Física e BiofísicaInstituto de BiociênciasUNESP - Campus de BotucatuCel (19) 9.9291.6738 		 	   		   		 	   		  

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