:
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Message: 2
Date: Wed, 2 Jul 2014 12:26:07 +0530
From: RINU KHATTRI nickname.mi...@gmail.commailto:
nickname.mi...@gmail.com
To: gmx-us...@gromacs.orgmailto:gmx-us...@gromacs.org
Subject: [gmx-users] error in grompp command
Message-ID:
caoefx3kbphak_brp4l4orcp_gsbsusohnlughx0wyjwewua
wrote:
--
Message: 2
Date: Wed, 2 Jul 2014 12:26:07 +0530
From: RINU KHATTRI nickname.mi...@gmail.commailto:
nickname.mi...@gmail.com
To: gmx-us...@gromacs.orgmailto:gmx-us...@gromacs.org
Subject: [gmx-users] error in grompp command
Message-ID
] error in grompp command
Message-ID:
caoefx3kbphak_brp4l4orcp_gsbsusohnlughx0wyjwewua...@mail.gmail.com
mailto:CAOEfx3KBphAK_BRP4L4orCp_gSBsuSOHNLUgHX0WyJweWuaN9A@
mail.gmail.com
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hello gromacs
i an working on protein ligand complex
On 7/3/14, 6:27 AM, RINU KHATTRI wrote:
hello gromacs users now have been removed this error after changing the
number of SOL in topol_popc.top file (counted from popc128.gro)
after that i hav used -maxwarn 1 command
result is
Generated 813 of the 2346 non-bonded parameter combinations
hello gromacs
i an working on protein ligand complex with lipid membrane (popc)
grompp -f minim.mdp -c popc128.gro -p topol_popc.top -o em.tpr -maxwarn -1
after this fatal error atomtypes CA not found
and only md.oonly mdout is formed
kindly help
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Subject: [gmx-users] error in grompp command
Message-ID:
caoefx3kbphak_brp4l4orcp_gsbsusohnlughx0wyjwewua...@mail.gmail.commailto:caoefx3kbphak_brp4l4orcp_gsbsusohnlughx0wyjwewua...@mail.gmail.com
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hello gromacs
i an working on protein ligand complex
:
nickname.mi...@gmail.com
To: gmx-us...@gromacs.orgmailto:gmx-us...@gromacs.org
Subject: [gmx-users] error in grompp command
Message-ID:
caoefx3kbphak_brp4l4orcp_gsbsusohnlughx0wyjwewua...@mail.gmail.com
mailto:caoefx3kbphak_brp4l4orcp_gsbsusohnlughx0wyjwewua...@mail.gmail.com
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