[gmx-users] Segmentation fault!!]

[ankur gupta]

Dear Gromacs Error,
While making the index file I split the non-protein part(I am doing
simulation of protein in SPC water) into residues and selected around 1000
water molecules and while cauculating the diffusion coefficient using
g_msd command I encounter the following error
Reading frame	0 time 0.000 Segmentation fault
Please guide me why so??

I used a total of 2536 water molecules to obtain a solvation shell three
to four water molecules thick in the periodic box and now I want to
calculate the diffusion coefficient in all the solvation layer to see the
effect of protein in solvent dynamics. Please guide me how should I select
just enough water molecules present in different layers. I have tried
trjorder also but unable to do so. Please help me out of this problem.

sincerely
Ankur




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