[gmx-users] pull code Umbrella

2017-02-06 Thread virginia miguel
ter of the bilayer, whe they are supposed to move 1 nm per ns ...I have used these options before but using pull_geometry=distance and had no trouble, but now I do not know what  am I doing wrong...if some one could give me a hint, I would appreciate it. Regards, Virginia. Dra. Virginia Miguel Instit

Re: [gmx-users] DNA-Protein complex MD failing

2015-02-20 Thread virginia miguel
in the morning torn between a desire to improve the world and a desire to enjoy the world. This makes it hard to plan the day. (E.B. White) On 2/19/15 12:55 PM, virginia miguel wrote: Hi everyone; I am tryingto run a simulation of a DNA-protein complex obtained by docking of a dsDNA of18bp

[gmx-users] DNA-Protein complex MD failing

2015-02-19 Thread virginia miguel
gen_seed  = 173529 ; BONDS constraints   = all-bonds constraint_algorithm  = LINCS Issomeone can give me a hint of where I am failing I would appreciate it indeed.Sincerely, Virginia.  Dra. Virginia Miguel Instituto de Investigaciones Biológicasy Tecnológicas (IIBYT