Hi Dr.Abraham

Thank you very much for your answer

yas I 've extacted configuration with 0.2 nm distance and when I want to 
run NPT for first configuration,I gave that error.

I didn't undersatnd this mdp file for this step, I got this file from 
umbrella sampling tutorial and I adjusted for my system but I didn't 

we are doing a pullind simulation with zero velocity, I think the aim is to 
costriant structure by artifial spring but we don't  move it, am I right?

Thank you very mmuch for your anwer, your help and your time




This email was Anti Virus checked by  Security Gateway.
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a 
mail to gmx-users-requ...@gromacs.org.

Reply via email to