Re: [gmx-users] Liquid-liquid interface and electric field

2016-11-20 Thread Gschwend Grégoire
I have tried to change the input as you suggested and it worked, I can see the ions transfer through the interface. Thank you for your help! De : gromacs.org_gmx-users-boun...@maillist.sys.kth.se de la

[gmx-users] DSSP Erorr

2016-11-20 Thread masoud keramati
Hi to all first i run 'gmx do_dssp -s md.tpr -f md.xtc' i go this error: Fatal error: DSSP executable (usr/local/bin/dssp) does not exist (use setenv DSSP) then i put dssp executable file in the path 'usr/local/bin/dssp' and run following command : 'export DSSP=/usr/local/bin/dssp' now when i

[gmx-users] DSSP Error

2016-11-20 Thread masoud keramati
Hi to all first i run 'gmx do_dssp -s md.tpr -f md.xtc' i go this error: Fatal error: DSSP executable (usr/local/bin/dssp) does not exist (use setenv DSSP) then i put dssp executable file in the path 'usr/local/bin/dssp' and run following command : 'export DSSP=/usr/local/bin/dssp' now when i