[gmx-users] Troubleshooting Generic Floating Point Exception Errors

2020-03-09 Thread Travis Meyer
for any solutions to a specific problem, but am mostly wondering if there is a good procedure for troubleshooting these errors. Are there a couple of most-likely culprits which I should check first? Thanks in advance! Travis Travis Meyer, Ph.D. INSPIRE Postdoctoral Fellow Gormley Lab, Rutgers

[gmx-users] gmx distance error - invalid index with -f vs -s input file

2020-01-24 Thread Travis Meyer
trajectory? I am new to GROMACS/Molecular Dynamics, so any help would be > greatly appreciated. > > Thanks, > Travis Meyer, Ph.D. > INSPIRE Postdoctoral Fellow > Gormley Lab, Rutgers University Travis Meyer, Ph.D. INSPIRE Postdoctoral Fellow Gormley La

[gmx-users] gmx distance error - invalid index with -f vs -s input file

2020-01-23 Thread Travis Meyer
appreciated. Thanks, Travis Meyer, Ph.D. INSPIRE Postdoctoral Fellow Gormley Lab, Rutgers University -- 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/Mail

Re: [gmx-users] Troubleshooting Error Message: Invalid Index Group References

2020-01-17 Thread Travis Meyer
. The fact that the error says "largest allowed atom index is 0" seems especially interesting to me, as it implies the gmx distance isn't finding any atoms in the trajectory file. Travis Meyer, Ph.D. INSPIRE Postdoctoral Fellow Gormley Lab, Rutgers University &

[gmx-users] Troubleshooting Error Message: Invalid Index Group References

2020-01-14 Thread Travis Meyer
Hello all, I am a brand new MD/GROMACS user, and I have been trying to learn how to use GROMACS for coarse-grained simulations using the MARTINI forcefield. I was going through a tutorial on coarse-graining from the MARTINI website