Re: [gmx-users] realloc Error !

Qiang Zhong wrote: Dear users: I simulate a large system which are 27062 atoms (include water),after mdrun hours,I receive a error message: Fatal error: realloc for grid->nra (-410897240 bytes, file nsgrid.c, line 159, grid->nra=0x0x 8cd3200) Could somebody tell me what wrong with it,wh

[gmx-users] realloc Error !

Dear users: I simulate a large system which are 27062 atoms (include water),after mdrun hours,I receive a error message: Fatal error: realloc for grid->nra (-410897240 bytes, file nsgrid.c, line 159, grid->nra=0x0x 8cd3200) Could somebody tell me what wrong with it,what should I do? T

Re: [gmx-users] master node dilema

Hi, On Mar 3, 2007, at 10:53 AM, [EMAIL PROTECTED] wrote: Dear GROMACS users, We are about to aquire a Dell cluster on which GROMACS will be running (Compute nodes: 8 servers - dual Opteron dual core = 32 compute cores, Infiniband Interconect). There are two choises for the master node - a

[gmx-users] master node dilema

Dear GROMACS users, We are about to aquire a Dell cluster on which GROMACS will be running (Compute nodes: 8 servers - dual Opteron dual core = 32 compute cores, Infiniband Interconect). There are two choises for the master node - as usualy one less expensive, one more expensive: - 2x Opte

Re: [gmx-users] grompp error in peptide-membrane simulations

Hi Maite, Indeed you shouldn't really run the lipids through pdb2gmx, but try to obtain a .itp file for a lipid, matching the force field you're trying to use. What you can do is take one lipid and run it through pdb2gmx, using your favourite force field. Make sure that the resulting structure fi