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 -- View this message in context: http://gromacs.5086.n6.nabble.com/Turn-on-pdb-output-after-every-step-tp5004542.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
