[gmx-users] gromos53a6_lipid.ff/forcefield.itp not found
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Wed May 27 20:32:00 CEST 2015
From: poncho_8629 at hotmail.com
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: gromos53a6_lipid.ff/forcefield.itp not found
Date: Wed, 27 May 2015 14:50:27 -0300
Hello i'm doing a simulation and when i use grompp grompp -f dppc128.mdp -c dppc128_40ns.pdb -p dppc128.top -o dppc128_1.tpr i have this: Fatal error:
Topology include file "gromos53a6_lipid.ff/forcefield.itp" not found. What should i include in my topolofy files?
And i have 2 notes: NOTE 1 [file dppc128.mdp, line 34]:
dppc128.mdp did not specify a value for the .mdp option "cutoff-scheme".
Probably it was first intended for use with GROMACS before 4.6. In 4.6,
the Verlet scheme was introduced, but the group scheme was still the
default. The default is now the Verlet scheme, so you will observe
different behaviour. Should i inlude Cutoff-scheme verlet in my mdp file?
NOTE 2 [file dppc128.mdp]:
The Berendsen thermostat does not generate the correct kinetic energy
distribution. You might want to consider using the V-rescale thermostat. Should i include Berendsen at my Tcouple option on mdp file?
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