[gmx-users] xtc error

Hi ,I am running to program, suddenly in the 200 steps .program Pull In .( in .mdp file dt was 0.002 and nsteps was 400) and I see following error : { xtc error –maybe you are out of quota }.please guide me .thanks. -- gmx-users mailing listgmx-users@gromacs.org http://lists.g

[gmx-users] warning and PME

Hi, while perform simulation, I perceive nether warning , I recourse page 87&147manual (PME part ),but I can 't understand that how apply change in the .mdp file according to said direction in the nether warning . please guide me, how remove error. consist warning : Can not exclude the lattice

[gmx-users] simulation box and CNT

Hi,I want to simulate a finite CNT and CNT is flexible .but during time simulation of nanotube is outside the simulation box and again into the box is return ,and finally , in the end simulation time,half of CNT remains outside the box.please guid me to solve this problem . thanks -- gmx-users m

[gmx-users] pdb file for CNT

Hi How pdb file for CNT is made? -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send i