Re: [gmx-users] OPLS AA/M error

2018-11-25 Thread Dallas Warren
https://www.mail-archive.com/search?l=gromacs.org_gmx-users@maillist.sys.kth.se=subject:%22Re%5C%3A+%5C%5Bgmx%5C-users%5C%5D+pdb2gmx+error%22=newest=1 The power of a web search ;) Might be something there to point you in the right direction. Catch ya, Dr. Dallas Warren Drug Delivery,

Re: [gmx-users] OPLS AA/M error

2018-11-22 Thread Sla s
Dear GMX Users, I am you again for a help with the issue I have encountered as I need to have it solved. If there is anyone who might have any idea of what is going on I would be grateful for contact. I wanted to conduct MD simulations using the newest OPLS-AA force field parameters - OPLS AA/M.

[gmx-users] OPLS AA/M error

2018-11-19 Thread Sla s
Hi all Gromacs Users, I wanted to conduct MD simulations using the newest OPLS-AA force field parameters - OPLS AA/M. I downloaded the folder with parameters from the main website of the developers and put it to the GMX top directory. The new ff is recognised, but while using pdb2gmx to create a