[gmx-users] continuation run in parallel with shuffle and sort option

Thanks a lot for your suggestion. I wanted to calculate lateral diffusion co-efficient for lipid, so it needs a long run. I understand I should give more time on making this working. I have already downloaded g_desort.c, and was successful upto some steps, but not the whole. If I get doubts furthe

[gmx-users] continuation run in parallel with shuffle and, sort option

While the previously posted script seems like a valid approach, the usefulness of -sort depends entirely on how long your trajectory is. If you only sort once at the beginning, then after <<10ns your waters will be mostly redistributed and I think that you will have totally lost the benifits of

[gmx-users] continuation run in parallel with shuffle and sort option

Hi, I was running a DPPC system with 128 DPPC and 3655 water molecules in 16 CPU with -shuffle -sort option. But I am unable to continue the job in parallel. I read a lots of posts in mailing list, but could not understand the proper way, as I don't know the script languages. So whatever is menti