데부
고라크스나트<f07...@kist.re.kr>
Cc.: gadhe.chang...@gmail.com
Sent date: 2017-09-04 15:36:29 GMT +0900 (Asia/Seoul)
Title: Re: [gmx-users] Error while running perl distances.pl
Script assumes that variable $distance is the second row separated by space in
the file dist{number}.xvg which appe
tas Rakeviius "<vytautas1...@yahoo.com>
To: gmx-us...@gromacs.org,gromacs.org_gmx-users@maillist.sys.kth.se,가디 장데부
고라크스나트<f07...@kist.re.kr>
Cc.: gadhe.chang...@gmail.com
Sent date: 2017-09-04 15:36:29 GMT +0900 (Asia/Seoul)
Title: Re: [gmx-users] Error while running perl distanc
Script assumes that variable $distance is the second row separated by space in
the file dist{number}.xvg which appears after execution of system call
gmx distance -s md_pull.tpr -f conf${i}.gro -n index.ndx -oall dist${i}.xvg
-select \'com of group \"lig\" plus com of group \"protein\"\'I just
Hello Gmx user,
I would like to transport solute molecule from the ion channel (intracellular
to extracellular site) using steered MD and umbrella sampling method to
calculate the energy.
I followed Dr. Lemkul's tutorial and it works fine upto equilibration step but
in distance.pl it shows
Hello Gmx user,
I would like to transport solute molecule from the ion channel (intracellular
to extracellular site) using steered MD and umbrella sampling method to
calculate the energy.
I followed Dr. Lemkul's tutorial and it works fine upto equilibration step but
in distance.pl it shows
