[gmx-users] Re: Hessian Matrix

Hi, I just simply did a change in .mdp file. Now the integrator = nm after grompp, 1) below is the error of mdrun -s em.tpr -mtx em.mtx Program mdrun, VERSION 4.0.7 Source code file: ../../../../src/gmxlib/smalloc.c, line: 147 Fatal error: Not enough memory. Failed to calloc

Re: [gmx-users] Re: Hessian Matrix

#ZHAO LINA# wrote: Hi, I just simply did a change in .mdp file. Now the integrator = nm after grompp, 1) below is the error of mdrun -s em.tpr -mtx em.mtx Program mdrun, VERSION 4.0.7 Source code file: ../../../../src/gmxlib/smalloc.c, line: 147 Fatal error: Not enough memory.