Amit Choubey wrote:
Hi everyone,
I am afraid this is not really a gromacs related question. Could anyone
refer me to a review paper which discusses about simulating water? Does
any of them gives a comparative and complete study of molecular dynamics
with water , answering questions like whi
Hi everyone,
I am afraid this is not really a gromacs related question. Could anyone
refer me to a review paper which discusses about simulating water? Does any
of them gives a comparative and complete study of molecular dynamics with
water , answering questions like which water model to use, how
abhijit kayal wrote:
---
Program grompp, VERSION 4.0.4
Source code file: topio.c, line: 415
Fatal error:
Syntax error - File topol.top, line 4
Last line read:
'[ atomtypes ]'
Invalid order for directive atomtypes
--
Hi,
With my grompp.mdp,topol.top and gonf.gro i gave the command and the output
was
[abhi...@scfbioserver gromacs]$ grompp -f grompp.mdp -p topol.top -c
conf.gro -o water.tpr
:-) G R O M A C S (-:
Gravel Rubs Often Many Awfully Cauterized Sores
abhijit kayal wrote:
Hi everyone,
I am new to the GROMACS.In GROMACS there is a example of
water(spc model).But after the command grompp -the output file
water.tpr should generate.But it is not giving the output.So what kind
of changes have to be done in grompp.mdp,topol.top,
Hi everyone,
I am new to the GROMACS.In GROMACS there is a example of
water(spc model).But after the command grompp -the output file water.tpr
should generate.But it is not giving the output.So what kind of changes have
to be done in grompp.mdp,topol.top, files.Please reply.
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