[gmx-users] Turn on pdb output after every step

santhosh mesanthu at gmail.com
Mon Jan 14 21:02:32 CET 2013


For some reasons, I want to output pdb file output after every step of the
MD run. After searching the forum, I found that Gromacs does that only in
some circumstances(like when the system is about to crash or already

Is there a way I could have a control on that by changing a flag and can I
write only the protein part ignoring the solvent? 

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