Hi, I am working through the KALP-15 in DPPC tutorial (only using a different protein) and having difficulties in packing the lipids around the protein. After I scaled the lipid positions by a factor of 4 (perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat) and ran energy minimizations (mdrun -v -deffnm em) I tried to scale down the lipids by a factor 0.95. However, I did not get the result of the minimization (confout.gro). I then received this error:
Eeeeek! No confout.gro at all! Died at inflategro.pl line 81. When researching this, I found this comment about the same issue I am having troubles with, "that could not have been the command you entered, because inflategro.pl is looking for confout.gro, which you have not specified in the command." Any suggestions? Thanks! -- View this message in context: http://gromacs.5086.n6.nabble.com/Trouble-with-packing-lipids-around-a-protein-using-InflateGRO-tp4998194.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
