Re: [gmx-users] how to use atom2cg.awk

;SER" && $3=="CB") printf("%4s %5i %4s %3s %4i%8.3f%8.3f%8.3f%6.2f%6.2f\n",$1, $2, "SC1", $4, $5, $6, $7, $8, $9,$10,$11); else if ($1=="ATOM" && $4=="THR" && $3=="CA") printf("%4s %5i %4s %3s %4i%8.3f

Re: [gmx-users] how to use atom2cg.awk

chain identifier is throwing off the awk field count. -Justin 4 <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844> --- *09年5月11日，周一, Justin A. Lemkul //* 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how

Re: [gmx-users] how to use atom2cg.awk

&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844> --- *09年5月11日，周一, Justin A. Lemkul //* 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how to use atom2cg.awk 收件人: "Gromacs Users' List" 日期: 2009年5月11日,周一,下午6:49 xi zhao wrote:

Re: [gmx-users] how to use atom2cg.awk

Dear sir: This is my modified script, please see it! I take CG simulations  according to   http://md.chem.rug.nl/marrink/coarsegrain.html. Thank you ! --- 09年5月11日，周一, Justin A. Lemkul 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how to use atom2cg.awk 收件人: "Gromacs Users'

Re: [gmx-users] how to use atom2cg.awk

s! 4 <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844> --- *09年5月11日，周一, Justin A. Lemkul //* 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how to use atom2cg.awk 收件人: "Gromacs Users'

Re: [gmx-users] how to use atom2cg.awk

, Justin A. Lemkul 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how to use atom2cg.awk 收件人: "Gromacs Users' List" 日期: 2009年5月11日,周一,上午8:22 xi zhao wrote: > Dear sir : > how to motify the $5 in details? > Thank you! > Use a text editor (vi, emacs, gedit, etc), l

Re: [gmx-users] how to use atom2cg.awk

5f2dabf8844> --- *09年5月8日，周五, Justin A. Lemkul //* 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how to use atom2cg.awk 收件人: "Discussion list for GROMACS users" 日期: 2009年5月8日,周五,下午6:46 xi zhao wrote: > > > Dear Sirs: > I wang t

Re: [gmx-users] how to use atom2cg.awk

Dear sir : how to motify the $5 in details? Thank you! --- 09年5月8日，周五, Justin A. Lemkul 写道： 发件人: Justin A. Lemkul 主题: Re: [gmx-users] how to use atom2cg.awk 收件人: "Discussion list for GROMACS users" 日期: 2009年5月8日,周五,下午6:46 xi zhao wrote: > > > Dear Sirs: >   I

Re: [gmx-users] how to use atom2cg.awk

xi zhao wrote: Dear Sirs: I wang to know simulate coarse-graied system using gromacs, but I don not know how to use atom2cg.awk to convert CG model! Thank you very much! ./atom2cg_v2.1_tryout.awk my.pdb > out.pdb Note that the script available online needs to be modified to include a