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

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


Hello 

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
crashed). 
http://gromacs.5086.n6.nabble.com/turn-off-pdb-output-td4417229.html#a4417301

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? 
Thanks
Santhosh





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