RE: [gmx-users] .mdp file for polymer

: gmx-users@gromacs.org Subject: [gmx-users] .mdp file for polymer Hello sir, On giving gmxdump its giving me an error saying "segmentation fault.My box size is 6x6X6.Am trying to run it it vaccum for 250 ps wit 5 timesteps and with columb type=PME. I read from mailing list that PME ca

RE: [gmx-users] .mdp file for polymer

-users] .mdp file for polymer Hello sir, On giving gmxdump its giving me an error saying "segmentation fault.My box size is 6x6X6.Am trying to run it it vaccum for 250 ps wit 5 timesteps and with columb type=PME. I read from mailing list that PME calculations requires large amount of m

Re: [gmx-users] .mdp file for polymer

varsha gautham wrote: Hello sir, On giving gmxdump its giving me an error saying "segmentation fault. 99.9% of the time there is more information available. Check your stdout, stderr and the .log file. My box size is 6x6X6.Am trying to run it it vaccum for 250 ps wit 5 timesteps and w

[gmx-users] .mdp file for polymer

Hello sir, On giving gmxdump its giving me an error saying "segmentation fault.My box size is 6x6X6.Am trying to run it it vaccum for 250 ps wit 5 timesteps and with columb type=PME. I read from mailing list that PME calculations requires large amount of memory space.Is this an issue with dime

Re: [gmx-users] .mdp file for polymer

varsha gautham wrote: hello sir, I made nstvout and nstfout parameters to zero and frequency to update position coordinates alone (nstxout) to 1000.But still am getting only one frame when viewed the trajectory in VMD. Just like some other trajectory formats, you do have to open a structu

[gmx-users] .mdp file for polymer

hello sir, I made nstvout and nstfout parameters to zero and frequency to update position coordinates alone (nstxout) to 1000.But still am getting only one frame when viewed the trajectory in VMD.It is an NVT ensemble.How can i get more than one frame?I think the timestep and nsteps i have giv